mirror of
https://github.com/triqs/dft_tools
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7684 lines
670 KiB
Plaintext
7684 lines
670 KiB
Plaintext
![]() |
PAW_PBE Lu_3 06Sep2000
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9.00000000000000
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parameters from PSCTR are:
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VRHFIN =Lu : [core=Xe4]
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LEXCH = PE
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EATOM = 703.8470 eV, 51.7313 Ry
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TITEL = PAW_PBE Lu_3 06Sep2000
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LULTRA = F use ultrasoft PP ?
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IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
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RPACOR = 2.300 partial core radius
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POMASS = 174.967; ZVAL = 9.000 mass and valenz
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RCORE = 3.000 outmost cutoff radius
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RWIGS = 3.000; RWIGS = 1.588 wigner-seitz radius (au A)
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ENMAX = 154.992; ENMIN = 116.244 eV
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RCLOC = 2.306 cutoff for local pot
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LCOR = T correct aug charges
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LPAW = T paw PP
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EAUG = 298.798
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DEXC = 0.000
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RMAX = 3.057 core radius for proj-oper
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RAUG = 1.300 factor for augmentation sphere
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RDEP = 3.026 radius for radial grids
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RDEPT = 2.396 core radius for aug-charge
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Atomic configuration
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14 entries
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n l j E occ.
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1 0 0.50 -63220.3049 2.0000
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2 0 0.50 -10760.2186 2.0000
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2 1 1.50 -9464.1045 6.0000
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3 0 0.50 -2438.5614 2.0000
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3 1 1.50 -2049.8094 6.0000
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3 2 2.50 -1583.8197 10.0000
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4 0 0.50 -485.4768 2.0000
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4 1 1.50 -357.9664 6.0000
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4 2 2.50 -191.8199 10.0000
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4 3 2.50 -9.6447 14.0000
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5 0 0.50 -61.0346 2.0000
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6 0 0.50 -4.6583 2.0000
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5 1 1.50 -31.6451 6.0000
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5 2 2.50 -1.7505 1.0000
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Description
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l E TYP RCUT TYP RCUT
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0 -4.6582936 23 3.000
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0 10.8846608 23 3.000
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1 -31.6450509 23 3.000
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1 -33.0056335 23 3.000
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2 -1.7504935 23 3.000
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2 0.9919308 23 3.000
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Error from kinetic energy argument (eV)
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NDATA = 100
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STEP = 20.000 1.050
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48.9 46.9 45.8 43.7 42.6 40.3 38.0 36.9
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34.5 32.2 31.1 28.8 26.6 24.4 22.3 20.3
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18.4 16.6 14.9 12.5 11.1 9.74 7.96 6.90
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5.95 4.71 3.67 3.08 2.34 1.74 1.28 0.917
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0.646 0.447 0.303 0.203 0.118 0.797E-01 0.504E-01 0.386E-01
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0.302E-01 0.258E-01 0.228E-01 0.199E-01 0.168E-01 0.136E-01 0.106E-01 0.741E-02
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0.553E-02 0.396E-02 0.309E-02 0.272E-02 0.246E-02 0.224E-02 0.193E-02 0.162E-02
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0.129E-02 0.944E-03 0.700E-03 0.559E-03 0.492E-03 0.455E-03 0.416E-03 0.350E-03
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0.284E-03 0.214E-03 0.165E-03 0.140E-03 0.128E-03 0.118E-03 0.101E-03 0.790E-04
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0.607E-04 0.500E-04 0.453E-04 0.422E-04 0.363E-04 0.287E-04 0.221E-04 0.193E-04
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0.181E-04 0.160E-04 0.128E-04 0.100E-04 0.887E-05 0.829E-05 0.710E-05 0.551E-05
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0.467E-05 0.438E-05 0.379E-05 0.303E-05 0.256E-05 0.241E-05 0.204E-05 0.163E-05
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0.147E-05 0.134E-05 0.106E-05 0.927E-06
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END of PSCTR-controll parameters
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local part
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62.3609576231045
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0.18465711E+03 0.18462490E+03 0.18452841E+03 0.18436771E+03 0.18414296E+03
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0.18385440E+03 0.18350233E+03 0.18308709E+03 0.18260912E+03 0.18206888E+03
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0.18146691E+03 0.18080379E+03 0.18008016E+03 0.17929672E+03 0.17845421E+03
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0.17755343E+03 0.17659524E+03 0.17558055E+03 0.17451034E+03 0.17338563E+03
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0.17220751E+03 0.17097714E+03 0.16969573E+03 0.16836454E+03 0.16698489E+03
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0.16555818E+03 0.16408585E+03 0.16256937E+03 0.16101029E+03 0.15941020E+03
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0.15777071E+03 0.15609350E+03 0.15438026E+03 0.15263274E+03 0.15085269E+03
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0.14904191E+03 0.14720221E+03 0.14533545E+03 0.14344346E+03 0.14152814E+03
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0.13959136E+03 0.13763503E+03 0.13566104E+03 0.13367130E+03 0.13166772E+03
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0.12965219E+03 0.12762661E+03 0.12559285E+03 0.12355279E+03 0.12150826E+03
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0.11946110E+03 0.11741309E+03 0.11536602E+03 0.11332161E+03 0.11128158E+03
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0.10924759E+03 0.10722127E+03 0.10520423E+03 0.10319800E+03 0.10120409E+03
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0.99223947E+02 0.97258990E+02 0.95310569E+02 0.93379990E+02 0.91468501E+02
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0.89577297E+02 0.87707515E+02 0.85860235E+02 0.84036478E+02 0.82237206E+02
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0.80463322E+02 0.78715668E+02 0.76995026E+02 0.75302121E+02 0.73637613E+02
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0.72002106E+02 0.70396145E+02 0.68820213E+02 0.67274736E+02 0.65760084E+02
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0.64276566E+02 0.62824439E+02 0.61403901E+02 0.60015098E+02 0.58658121E+02
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0.57333013E+02 0.56039761E+02 0.54778308E+02 0.53548548E+02 0.52350330E+02
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0.51183458E+02 0.50047696E+02 0.48942765E+02 0.47868352E+02 0.46824102E+02
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0.45809632E+02 0.44824519E+02 0.43868316E+02 0.42940542E+02 0.42040691E+02
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0.41168234E+02 0.40322615E+02 0.39503261E+02 0.38709578E+02 0.37940954E+02
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0.37196765E+02 0.36476372E+02 0.35779125E+02 0.35104367E+02 0.34451432E+02
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0.33819647E+02 0.33208339E+02 0.32616830E+02 0.32044442E+02 0.31490499E+02
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0.30954327E+02 0.30435256E+02 0.29932622E+02 0.29445767E+02 0.28974042E+02
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0.28516806E+02 0.28073430E+02 0.27643296E+02 0.27225799E+02 0.26820348E+02
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0.26426366E+02 0.26043292E+02 0.25670581E+02 0.25307704E+02 0.24954152E+02
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0.24609430E+02 0.24273064E+02 0.23944598E+02 0.23623595E+02 0.23309637E+02
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0.23002325E+02 0.22701281E+02 0.22406144E+02 0.22116576E+02 0.21832255E+02
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0.21552881E+02 0.21278173E+02 0.21007868E+02 0.20741722E+02 0.20479510E+02
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0.20221026E+02 0.19966079E+02 0.19714497E+02 0.19466125E+02 0.19220821E+02
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0.18978463E+02 0.18738939E+02 0.18502156E+02 0.18268031E+02 0.18036496E+02
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0.17807493E+02 0.17580979E+02 0.17356919E+02 0.17135289E+02 0.16916075E+02
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0.16699272E+02 0.16484881E+02 0.16272912E+02 0.16063381E+02 0.15856309E+02
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0.15651723E+02 0.15449654E+02 0.15250135E+02 0.15053204E+02 0.14858899E+02
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0.14667262E+02 0.14478334E+02 0.14292157E+02 0.14108774E+02 0.13928224E+02
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0.13750549E+02 0.13575786E+02 0.13403970E+02 0.13235136E+02 0.13069313E+02
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0.12906528E+02 0.12746804E+02 0.12590160E+02 0.12436609E+02 0.12286162E+02
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0.12138824E+02 0.11994595E+02 0.11853470E+02 0.11715439E+02 0.11580486E+02
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0.11448591E+02 0.11319730E+02 0.11193870E+02 0.11070976E+02 0.10951008E+02
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0.10833921E+02 0.10719663E+02 0.10608181E+02 0.10499414E+02 0.10393301E+02
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0.10289775E+02 0.10188763E+02 0.10090193E+02 0.99939884E+01 0.99000685E+01
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0.98083518E+01 0.97187545E+01 0.96311909E+01 0.95455743E+01 0.94618167E+01
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0.93798299E+01 0.92995251E+01 0.92208137E+01 0.91436075E+01 0.90678189E+01
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0.89933616E+01 0.89201505E+01 0.88481022E+01 0.87771352E+01 0.87071705E+01
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0.86381315E+01 0.85699443E+01 0.85025383E+01 0.84358461E+01 0.83698036E+01
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0.83043507E+01 0.82394308E+01 0.81749914E+01 0.81109839E+01 0.80473641E+01
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0.79840917E+01 0.79211306E+01 0.78584493E+01 0.77960201E+01 0.77338197E+01
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0.76718290E+01 0.76100329E+01 0.75484204E+01 0.74869845E+01 0.74257218E+01
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0.73646329E+01 0.73037216E+01 0.72429953E+01 0.71824645E+01 0.71221424E+01
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0.70620454E+01 0.70021919E+01 0.69426029E+01 0.68833012E+01 0.68243115E+01
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0.67656600E+01 0.67073739E+01 0.66494817E+01 0.65920125E+01 0.65349960E+01
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0.64784620E+01 0.64224405E+01 0.63669612E+01 0.63120534E+01 0.62577456E+01
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0.62040655E+01 0.61510396E+01 0.60986933E+01 0.60470501E+01 0.59961322E+01
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0.59459599E+01 0.58965512E+01 0.58479225E+01 0.58000875E+01 0.57530581E+01
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0.57068435E+01 0.56614505E+01 0.56168838E+01 0.55731453E+01 0.55302345E+01
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0.54881486E+01 0.54468824E+01 0.54064280E+01 0.53667754E+01 0.53279125E+01
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0.52898246E+01 0.52524953E+01 0.52159059E+01 0.51800361E+01 0.51448636E+01
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0.51103649E+01 0.50765146E+01 0.50432865E+01 0.50106531E+01 0.49785859E+01
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0.49470558E+01 0.49160331E+01 0.48854877E+01 0.48553893E+01 0.48257075E+01
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0.47964121E+01 0.47674731E+01 0.47388610E+01 0.47105470E+01 0.46825027E+01
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0.46547009E+01 0.46271155E+01 0.45997212E+01 0.45724944E+01 0.45454127E+01
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0.45184552E+01 0.44916026E+01 0.44648375E+01 0.44381439E+01 0.44115078E+01
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0.43849170E+01 0.43583610E+01 0.43318314E+01 0.43053214E+01 0.42788261E+01
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0.42523425E+01 0.42258693E+01 0.41994069E+01 0.41729574E+01 0.41465244E+01
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0.41201132E+01 0.40937305E+01 0.40673843E+01 0.40410839E+01 0.40148398E+01
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0.39886634E+01 0.39625671E+01 0.39365643E+01 0.39106687E+01 0.38848948E+01
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0.38592573E+01 0.38337714E+01 0.38084521E+01 0.37833148E+01 0.37583746E+01
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0.37336462E+01 0.37091443E+01 0.36848828E+01 0.36608753E+01 0.36371347E+01
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0.36136730E+01 0.35905015E+01 0.35676306E+01 0.35450695E+01 0.35228265E+01
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0.35009088E+01 0.34793223E+01 0.34580718E+01 0.34371607E+01 0.34165913E+01
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0.33963645E+01 0.33764800E+01 0.33569363E+01 0.33377304E+01 0.33188584E+01
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0.33003151E+01 0.32820941E+01 0.32641881E+01 0.32465887E+01 0.32292865E+01
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0.32122712E+01 0.31955318E+01 0.31790565E+01 0.31628328E+01 0.31468477E+01
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0.31310876E+01 0.31155386E+01 0.31001865E+01 0.30850169E+01 0.30700153E+01
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0.30551671E+01 0.30404580E+01 0.30258736E+01 0.30114001E+01 0.29970238E+01
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0.29827315E+01 0.29685107E+01 0.29543493E+01 0.29402357E+01 0.29261594E+01
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0.29121105E+01 0.28980796E+01 0.28840586E+01 0.28700401E+01 0.28560176E+01
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0.28419855E+01 0.28279393E+01 0.28138755E+01 0.27997914E+01 0.27856854E+01
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0.27715570E+01 0.27574063E+01 0.27432347E+01 0.27290443E+01 0.27148381E+01
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0.27006199E+01 0.26863943E+01 0.26721665E+01 0.26579424E+01 0.26437287E+01
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0.26295323E+01 0.26153608E+01 0.26012220E+01 0.25871244E+01 0.25730764E+01
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0.25590869E+01 0.25451646E+01 0.25313187E+01 0.25175579E+01 0.25038913E+01
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0.24903275E+01 0.24768750E+01 0.24635422E+01 0.24503368E+01 0.24372665E+01
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0.24243381E+01 0.24115583E+01 0.23989331E+01 0.23864679E+01 0.23741676E+01
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|
0.23620361E+01 0.23500772E+01 0.23382937E+01 0.23266875E+01 0.23152604E+01
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|
0.23040128E+01 0.22929449E+01 0.22820560E+01 0.22713446E+01 0.22608088E+01
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|
0.22504456E+01 0.22402518E+01 0.22302233E+01 0.22203554E+01 0.22106432E+01
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|
0.22010808E+01 0.21916621E+01 0.21823807E+01 0.21732297E+01 0.21642017E+01
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|
0.21552894E+01 0.21464849E+01 0.21377806E+01 0.21291683E+01 0.21206400E+01
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|
0.21121877E+01 0.21038033E+01 0.20954789E+01 0.20872066E+01 0.20789787E+01
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||
|
0.20707879E+01 0.20626270E+01 0.20544891E+01 0.20463678E+01 0.20382570E+01
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||
|
0.20301509E+01 0.20220444E+01 0.20139327E+01 0.20058116E+01 0.19976772E+01
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|
0.19895265E+01 0.19813566E+01 0.19731656E+01 0.19649516E+01 0.19567137E+01
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||
|
0.19484513E+01 0.19401644E+01 0.19318534E+01 0.19235195E+01 0.19151639E+01
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||
|
0.19067888E+01 0.18983965E+01 0.18899898E+01 0.18815719E+01 0.18731465E+01
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||
|
0.18647174E+01 0.18562889E+01 0.18478654E+01 0.18394516E+01 0.18310524E+01
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||
|
0.18226727E+01 0.18143177E+01 0.18059925E+01 0.17977024E+01 0.17894525E+01
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||
|
0.17812481E+01 0.17730942E+01 0.17649957E+01 0.17569576E+01 0.17489845E+01
|
||
|
0.17410808E+01 0.17332509E+01 0.17254987E+01 0.17178278E+01 0.17102418E+01
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||
|
0.17027437E+01 0.16953362E+01 0.16880216E+01 0.16808020E+01 0.16736790E+01
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||
|
0.16666537E+01 0.16597270E+01 0.16528993E+01 0.16461708E+01 0.16395410E+01
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||
|
0.16330094E+01 0.16265747E+01 0.16202357E+01 0.16139906E+01 0.16078372E+01
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||
|
0.16017731E+01 0.15957958E+01 0.15899020E+01 0.15840887E+01 0.15783524E+01
|
||
|
0.15726892E+01 0.15670954E+01 0.15615669E+01 0.15560995E+01 0.15506889E+01
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||
|
0.15453307E+01 0.15400206E+01 0.15347540E+01 0.15295267E+01 0.15243341E+01
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||
|
0.15191719E+01 0.15140359E+01 0.15089219E+01 0.15038259E+01 0.14987439E+01
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||
|
0.14936722E+01 0.14886073E+01 0.14835457E+01 0.14784844E+01 0.14734204E+01
|
||
|
0.14683512E+01 0.14632742E+01 0.14581874E+01 0.14530890E+01 0.14479773E+01
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||
|
0.14428512E+01 0.14377097E+01 0.14325521E+01 0.14273780E+01 0.14221874E+01
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||
|
0.14169804E+01 0.14117575E+01 0.14065194E+01 0.14012671E+01 0.13960018E+01
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||
|
0.13907250E+01 0.13854383E+01 0.13801437E+01 0.13748433E+01 0.13695393E+01
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||
|
0.13642342E+01 0.13589305E+01 0.13536310E+01 0.13483386E+01 0.13430560E+01
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||
|
0.13377863E+01 0.13325326E+01 0.13272977E+01 0.13220849E+01 0.13168970E+01
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||
|
0.13117371E+01 0.13066081E+01 0.13015129E+01 0.12964542E+01 0.12914347E+01
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||
|
0.12864570E+01 0.12815234E+01 0.12766362E+01 0.12717976E+01 0.12670094E+01
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||
|
0.12622735E+01 0.12575913E+01 0.12529642E+01 0.12483933E+01 0.12438796E+01
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||
|
0.12394236E+01 0.12350260E+01 0.12306867E+01 0.12264060E+01 0.12221834E+01
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||
|
0.12180186E+01 0.12139109E+01 0.12098593E+01 0.12058628E+01 0.12019201E+01
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||
|
0.11980298E+01 0.11941900E+01 0.11903991E+01 0.11866550E+01 0.11829555E+01
|
||
|
0.11792985E+01 0.11756814E+01 0.11721018E+01 0.11685571E+01 0.11650445E+01
|
||
|
0.11615614E+01 0.11581049E+01 0.11546723E+01 0.11512608E+01 0.11478675E+01
|
||
|
0.11444898E+01 0.11411248E+01 0.11377699E+01 0.11344226E+01 0.11310804E+01
|
||
|
0.11277408E+01 0.11244016E+01 0.11210606E+01 0.11177159E+01 0.11143655E+01
|
||
|
0.11110077E+01 0.11076410E+01 0.11042640E+01 0.11008756E+01 0.10974748E+01
|
||
|
0.10940607E+01 0.10906328E+01 0.10871908E+01 0.10837344E+01 0.10802637E+01
|
||
|
0.10767788E+01 0.10732803E+01 0.10697687E+01 0.10662449E+01 0.10627097E+01
|
||
|
0.10591643E+01 0.10556100E+01 0.10520482E+01 0.10484806E+01 0.10449087E+01
|
||
|
0.10413346E+01 0.10377600E+01 0.10341870E+01 0.10306178E+01 0.10270545E+01
|
||
|
0.10234994E+01 0.10199546E+01 0.10164225E+01 0.10129054E+01 0.10094055E+01
|
||
|
0.10059251E+01 0.10024662E+01 0.99903114E+00 0.99562183E+00 0.99224028E+00
|
||
|
0.98888832E+00 0.98556770E+00 0.98228006E+00 0.97902689E+00 0.97580954E+00
|
||
|
0.97262921E+00 0.96948696E+00 0.96638367E+00 0.96332005E+00 0.96029664E+00
|
||
|
0.95731378E+00 0.95437165E+00 0.95147023E+00 0.94860931E+00 0.94578850E+00
|
||
|
0.94300725E+00 0.94026481E+00 0.93756028E+00 0.93489258E+00 0.93226050E+00
|
||
|
0.92966266E+00 0.92709759E+00 0.92456364E+00 0.92205909E+00 0.91958209E+00
|
||
|
0.91713072E+00 0.91470295E+00 0.91229671E+00 0.90990986E+00 0.90754022E+00
|
||
|
0.90518560E+00 0.90284376E+00 0.90051251E+00 0.89818965E+00 0.89587302E+00
|
||
|
0.89356053E+00 0.89125012E+00 0.88893984E+00 0.88662780E+00 0.88431225E+00
|
||
|
0.88199152E+00 0.87966406E+00 0.87732846E+00 0.87498346E+00 0.87262792E+00
|
||
|
0.87026085E+00 0.86788144E+00 0.86548901E+00 0.86308306E+00 0.86066325E+00
|
||
|
0.85822942E+00 0.85578156E+00 0.85331986E+00 0.85084466E+00 0.84835644E+00
|
||
|
0.84585588E+00 0.84334380E+00 0.84082114E+00 0.83828901E+00 0.83574862E+00
|
||
|
0.83320132E+00 0.83064853E+00 0.82809180E+00 0.82553274E+00 0.82297305E+00
|
||
|
0.82041446E+00 0.81785878E+00 0.81530783E+00 0.81276347E+00 0.81022757E+00
|
||
|
0.80770199E+00 0.80518858E+00 0.80268916E+00 0.80020549E+00 0.79773931E+00
|
||
|
0.79529226E+00 0.79286591E+00 0.79046174E+00 0.78808112E+00 0.78572532E+00
|
||
|
0.78339547E+00 0.78109258E+00 0.77881754E+00 0.77657110E+00 0.77435385E+00
|
||
|
0.77216625E+00 0.77000861E+00 0.76788111E+00 0.76578375E+00 0.76371640E+00
|
||
|
0.76167880E+00 0.75967051E+00 0.75769096E+00 0.75573944E+00 0.75381513E+00
|
||
|
0.75191704E+00 0.75004409E+00 0.74819507E+00 0.74636869E+00 0.74456354E+00
|
||
|
0.74277815E+00 0.74101098E+00 0.73926041E+00 0.73752481E+00 0.73580249E+00
|
||
|
0.73409173E+00 0.73239082E+00 0.73069803E+00 0.72901166E+00 0.72733001E+00
|
||
|
0.72565141E+00 0.72397426E+00 0.72229697E+00 0.72061804E+00 0.71893605E+00
|
||
|
0.71724963E+00 0.71555755E+00 0.71385863E+00 0.71215185E+00 0.71043625E+00
|
||
|
0.70871105E+00 0.70697555E+00 0.70522920E+00 0.70347158E+00 0.70170238E+00
|
||
|
0.69992146E+00 0.69812877E+00 0.69632441E+00 0.69450861E+00 0.69268170E+00
|
||
|
0.69084416E+00 0.68899656E+00 0.68713960E+00 0.68527407E+00 0.68340089E+00
|
||
|
0.68152103E+00 0.67963560E+00 0.67774574E+00 0.67585268E+00 0.67395772E+00
|
||
|
0.67206218E+00 0.67016743E+00 0.66827487E+00 0.66638592E+00 0.66450200E+00
|
||
|
0.66262451E+00 0.66075485E+00 0.65889439E+00 0.65704449E+00 0.65520642E+00
|
||
|
0.65338145E+00 0.65157077E+00 0.64977549E+00 0.64799669E+00 0.64623532E+00
|
||
|
0.64449228E+00 0.64276837E+00 0.64106429E+00 0.63938063E+00 0.63771787E+00
|
||
|
0.63607640E+00 0.63445649E+00 0.63285828E+00 0.63128181E+00 0.62972701E+00
|
||
|
0.62819371E+00 0.62668160E+00 0.62519031E+00 0.62371933E+00 0.62226809E+00
|
||
|
0.62083591E+00 0.61942204E+00 0.61802563E+00 0.61664576E+00 0.61528147E+00
|
||
|
0.61393171E+00 0.61259538E+00 0.61127134E+00 0.60995841E+00 0.60865538E+00
|
||
|
0.60736101E+00 0.60607406E+00 0.60479329E+00 0.60351745E+00 0.60224532E+00
|
||
|
0.60097570E+00 0.59970741E+00 0.59843933E+00 0.59717036E+00 0.59589949E+00
|
||
|
0.59462572E+00 0.59334816E+00 0.59206594E+00 0.59077830E+00 0.58948455E+00
|
||
|
0.58818406E+00 0.58687630E+00 0.58556082E+00 0.58423727E+00 0.58290538E+00
|
||
|
0.58156498E+00 0.58021599E+00 0.57885842E+00 0.57749239E+00 0.57611809E+00
|
||
|
0.57473580E+00 0.57334590E+00 0.57194883E+00 0.57054512E+00 0.56913535E+00
|
||
|
0.56772018E+00 0.56630034E+00 0.56487658E+00 0.56344973E+00 0.56202065E+00
|
||
|
0.56059023E+00 0.55915940E+00 0.55772912E+00 0.55630036E+00 0.55487411E+00
|
||
|
0.55345135E+00 0.55203308E+00 0.55062027E+00 0.54921389E+00 0.54781488E+00
|
||
|
0.54642414E+00 0.54504254E+00 0.54367092E+00 0.54231005E+00 0.54096067E+00
|
||
|
0.53962344E+00 0.53829899E+00 0.53698785E+00 0.53569053E+00 0.53440743E+00
|
||
|
0.53313891E+00 0.53188525E+00 0.53064665E+00 0.52942325E+00 0.52821510E+00
|
||
|
0.52702219E+00 0.52584443E+00 0.52468165E+00 0.52353362E+00 0.52240001E+00
|
||
|
0.52128047E+00 0.52017453E+00 0.51908171E+00 0.51800144E+00 0.51693311E+00
|
||
|
0.51587606E+00 0.51482960E+00 0.51379299E+00 0.51276547E+00 0.51174624E+00
|
||
|
0.51073448E+00 0.50972937E+00 0.50873006E+00 0.50773570E+00 0.50674544E+00
|
||
|
0.50575842E+00 0.50477380E+00 0.50379075E+00 0.50280846E+00 0.50182616E+00
|
||
|
0.50084307E+00 0.49985849E+00 0.49887174E+00 0.49788218E+00 0.49688923E+00
|
||
|
0.49589235E+00 0.49489106E+00 0.49388493E+00 0.49287360E+00 0.49185675E+00
|
||
|
0.49083414E+00 0.48980556E+00 0.48877090E+00 0.48773007E+00 0.48668308E+00
|
||
|
0.48562996E+00 0.48457084E+00 0.48350588E+00 0.48243533E+00 0.48135946E+00
|
||
|
0.48027862E+00 0.47919322E+00 0.47810370E+00 0.47701055E+00 0.47591431E+00
|
||
|
0.47481555E+00 0.47371486E+00 0.47261288E+00 0.47151027E+00 0.47040770E+00
|
||
|
0.46930584E+00 0.46820541E+00 0.46710711E+00 0.46601163E+00 0.46491970E+00
|
||
|
0.46383199E+00 0.46274921E+00 0.46167204E+00 0.46060111E+00 0.45953708E+00
|
||
|
0.45848053E+00 0.45743205E+00 0.45639218E+00 0.45536139E+00 0.45434016E+00
|
||
|
0.45332888E+00 0.45232792E+00 0.45133757E+00 0.45035810E+00 0.44938971E+00
|
||
|
0.44843255E+00 0.44748671E+00 0.44655225E+00 0.44562914E+00 0.44471733E+00
|
||
|
0.44381670E+00 0.44292709E+00 0.44204826E+00 0.44117997E+00 0.44032187E+00
|
||
|
0.43947362E+00 0.43863478E+00 0.43780491E+00 0.43698352E+00 0.43617006E+00
|
||
|
0.43536398E+00 0.43456470E+00 0.43377159E+00 0.43298402E+00 0.43220135E+00
|
||
|
0.43142293E+00 0.43064809E+00 0.42987616E+00 0.42910649E+00 0.42833841E+00
|
||
|
0.42757128E+00 0.42680446E+00 0.42603733E+00 0.42526928E+00 0.42449974E+00
|
||
|
0.42372816E+00 0.42295402E+00 0.42217683E+00 0.42139615E+00 0.42061157E+00
|
||
|
gradient corrections used for XC
|
||
|
5
|
||
|
core charge-density (partial)
|
||
|
0.25564639E+01 0.25554813E+01 0.25525362E+01 0.25476360E+01 0.25407930E+01
|
||
|
0.25320245E+01 0.25213525E+01 0.25088038E+01 0.24944093E+01 0.24782048E+01
|
||
|
0.24602298E+01 0.24405279E+01 0.24191466E+01 0.23961366E+01 0.23715522E+01
|
||
|
0.23454503E+01 0.23178909E+01 0.22889363E+01 0.22586509E+01 0.22271013E+01
|
||
|
0.21943555E+01 0.21604830E+01 0.21255544E+01 0.20896411E+01 0.20528151E+01
|
||
|
0.20151489E+01 0.19767150E+01 0.19375857E+01 0.18978331E+01 0.18575287E+01
|
||
|
0.18167434E+01 0.17755470E+01 0.17340083E+01 0.16921949E+01 0.16501729E+01
|
||
|
0.16080070E+01 0.15657602E+01 0.15234937E+01 0.14812669E+01 0.14391371E+01
|
||
|
0.13971599E+01 0.13553885E+01 0.13138739E+01 0.12726653E+01 0.12318092E+01
|
||
|
0.11913501E+01 0.11513300E+01 0.11117889E+01 0.10727643E+01 0.10342912E+01
|
||
|
0.99640264E+00 0.95912912E+00 0.92249895E+00 0.88653820E+00 0.85127067E+00
|
||
|
0.81671800E+00 0.78289968E+00 0.74983308E+00 0.71753351E+00 0.68601427E+00
|
||
|
0.65528670E+00 0.62536024E+00 0.59624247E+00 0.56793920E+00 0.54045450E+00
|
||
|
0.51379079E+00 0.48794888E+00 0.46292806E+00 0.43872616E+00 0.41533959E+00
|
||
|
0.39276345E+00 0.37099159E+00 0.35001664E+00 0.32983013E+00 0.31042251E+00
|
||
|
0.29178326E+00 0.27390095E+00 0.25676325E+00 0.24035709E+00 0.22466864E+00
|
||
|
0.20968342E+00 0.19538636E+00 0.18176181E+00 0.16879369E+00 0.15646546E+00
|
||
|
0.14476023E+00 0.13366078E+00 0.12314965E+00 0.11320915E+00 0.10382144E+00
|
||
|
0.94968560E-01 0.86632487E-01 0.78795166E-01 0.71438559E-01 0.64544681E-01
|
||
|
0.58095638E-01 0.52073665E-01 0.46461152E-01 0.41240685E-01 0.36395065E-01
|
||
|
0.31907342E-01 0.27760840E-01 0.23939176E-01 0.20426285E-01 0.17206440E-01
|
||
|
0.14264265E-01 0.11584758E-01 0.91533012E-02 0.69556720E-02 0.49780576E-02
|
||
|
0.32070626E-02 0.16297168E-02 0.23348159E-03 -0.99374502E-03 -0.20636250E-02
|
||
|
-0.29873779E-02 -0.37757804E-02 -0.44391658E-02 -0.49874262E-02 -0.54300143E-02
|
||
|
-0.57759471E-02 -0.60338106E-02 -0.62117646E-02 -0.63175490E-02 -0.63584912E-02
|
||
|
-0.63415127E-02 -0.62731383E-02 -0.61595047E-02 -0.60063696E-02 -0.58191218E-02
|
||
|
-0.56027918E-02 -0.53620621E-02 -0.51012782E-02 -0.48244606E-02 -0.45353154E-02
|
||
|
-0.42372467E-02 -0.39333684E-02 -0.36265159E-02 -0.33192585E-02 -0.30139113E-02
|
||
|
-0.27125471E-02 -0.24170090E-02 -0.21289216E-02 -0.18497032E-02 -0.15805777E-02
|
||
|
-0.13225857E-02 -0.10765960E-02 -0.84331673E-03 -0.62330629E-03 -0.41698381E-03
|
||
|
-0.22463961E-03 -0.46445201E-04 0.11753695E-03 0.26734397E-03 0.40310352E-03
|
||
|
0.52502499E-03 0.63339109E-03 0.72854979E-03 0.81090660E-03 0.88091720E-03
|
||
|
0.93908050E-03 0.98593195E-03 0.10220373E-02 0.10479867E-02 0.10643892E-02
|
||
|
0.10718674E-02 0.10710528E-02 0.10625811E-02 0.10470884E-02 0.10252068E-02
|
||
|
0.99756149E-03 0.96476709E-03 0.92742507E-03 0.88612101E-03 0.84142233E-03
|
||
|
0.79387629E-03 0.74400817E-03 0.69231979E-03 0.63928824E-03 0.58536484E-03
|
||
|
0.53097432E-03 0.47651420E-03 0.42235435E-03 0.36883681E-03 0.31627567E-03
|
||
|
0.26495718E-03 0.21514003E-03 0.16705564E-03 0.12090877E-03 0.76878037E-04
|
||
|
0.35116707E-04 -0.42465387E-05 -0.41106693E-04 -0.75381468E-04 -0.10701026E-03
|
||
|
-0.13595310E-03 -0.16218947E-03 -0.18571724E-03 -0.20655141E-03 -0.22472293E-03
|
||
|
-0.24027750E-03 -0.25327437E-03 -0.26378507E-03 -0.27189226E-03 -0.27768851E-03
|
||
|
-0.28127514E-03 -0.28276107E-03 -0.28226171E-03 -0.27989784E-03 -0.27579461E-03
|
||
|
-0.27008052E-03 -0.26288642E-03 -0.25434461E-03 -0.24458801E-03 -0.23374925E-03
|
||
|
-0.22195996E-03 -0.20935005E-03 -0.19604700E-03 -0.18217527E-03 -0.16785575E-03
|
||
|
-0.15320520E-03 -0.13833585E-03 -0.12335496E-03 -0.10836450E-03 -0.93460773E-04
|
||
|
-0.78734256E-04 -0.64269319E-04 -0.50144099E-04 -0.36430371E-04 -0.23193477E-04
|
||
|
-0.10492292E-04 0.16207739E-05 0.13099731E-04 0.23904939E-04 0.34002996E-04
|
||
|
0.43366605E-04 0.51974410E-04 0.59810807E-04 0.66865729E-04 0.73134421E-04
|
||
|
0.78617186E-04 0.83319122E-04 0.87249841E-04 0.90423183E-04 0.92856914E-04
|
||
|
0.94572422E-04 0.95594407E-04 0.95950568E-04 0.95671284E-04 0.94789306E-04
|
||
|
0.93339442E-04 0.91358249E-04 0.88883733E-04 0.85955052E-04 0.82612228E-04
|
||
|
0.78895869E-04 0.74846902E-04 0.70506316E-04 0.65914918E-04 0.61113098E-04
|
||
|
0.56140616E-04 0.51036393E-04 0.45838324E-04 0.40583105E-04 0.35306069E-04
|
||
|
0.30041044E-04 0.24820225E-04 0.19674059E-04 0.14631146E-04 0.97181595E-05
|
||
|
0.49597722E-05 0.37860667E-06 -0.40048060E-05 -0.81720519E-05 -0.12106847E-04
|
||
|
-0.15795038E-04 -0.19224587E-04 -0.22385554E-04 -0.25270054E-04 -0.27872219E-04
|
||
|
-0.30188141E-04 -0.32215809E-04 -0.33955036E-04 -0.35407385E-04 -0.36576079E-04
|
||
|
-0.37465914E-04 -0.38083160E-04 -0.38435462E-04 -0.38531738E-04 -0.38382070E-04
|
||
|
-0.37997596E-04 -0.37390401E-04 -0.36573403E-04 -0.35560247E-04 -0.34365191E-04
|
||
|
-0.33002996E-04 -0.31488822E-04 -0.29838120E-04 -0.28066529E-04 -0.26189779E-04
|
||
|
-0.24223591E-04 -0.22183589E-04 -0.20085209E-04 -0.17943620E-04 -0.15773641E-04
|
||
|
-0.13589673E-04 -0.11405626E-04 -0.92348609E-05 -0.70901332E-05 -0.49835391E-05
|
||
|
-0.29264731E-05 -0.92958783E-06 0.99723902E-06 0.28449325E-05 0.46052420E-05
|
||
|
0.62707582E-05 0.78349234E-05 0.92920372E-05 0.10637257E-04 0.11866595E-04
|
||
|
0.12976905E-04 0.13965873E-04 0.14831997E-04 0.15574567E-04 0.16193636E-04
|
||
|
0.16689993E-04 0.17065134E-04 0.17321219E-04 0.17461043E-04 0.17487990E-04
|
||
|
0.17405996E-04 0.17219502E-04 0.16933411E-04 0.16553042E-04 0.16084085E-04
|
||
|
0.15532553E-04 0.14904734E-04 0.14207146E-04 0.13446490E-04 0.12629604E-04
|
||
|
0.11763420E-04 0.10854914E-04 0.99110728E-05 0.89388440E-05 0.79451022E-05
|
||
|
0.69366092E-05 0.59199788E-05 0.49016431E-05 0.38878214E-05 0.28844908E-05
|
||
|
0.18973604E-05 0.93184622E-06 -0.69497722E-08 -0.91425892E-06 -0.17856624E-05
|
||
|
-0.26171049E-05 -0.34049065E-05 -0.41457707E-05 -0.48367913E-05 -0.54754561E-05
|
||
|
-0.60596482E-05 -0.65876451E-05 -0.70581158E-05 -0.74701153E-05 -0.78230774E-05
|
||
|
-0.81168052E-05 -0.83514605E-05 -0.85275506E-05 -0.86459142E-05 -0.87077052E-05
|
||
|
-0.87143764E-05 -0.86676605E-05 -0.85695514E-05 -0.84222834E-05 -0.82283114E-05
|
||
|
-0.79902882E-05 -0.77110436E-05 -0.73935617E-05 -0.70409586E-05 -0.66564598E-05
|
||
|
-0.62433783E-05 -0.58050920E-05 -0.53450220E-05 -0.48666115E-05 -0.43733045E-05
|
||
|
-0.38685261E-05 -0.33556627E-05 -0.28380436E-05 -0.23189234E-05 -0.18014648E-05
|
||
|
-0.12887237E-05 -0.78363407E-06 -0.28899458E-06 0.19254334E-06 0.65848668E-06
|
||
|
0.11065105E-05 0.15344666E-05 0.19403903E-05 0.23225069E-05 0.26792359E-05
|
||
|
0.30091945E-05 0.33111999E-05 0.35842699E-05 0.38276230E-05 0.40406768E-05
|
||
|
0.42230453E-05 0.43745357E-05 0.44951436E-05 0.45850476E-05 0.46446025E-05
|
||
|
0.46743324E-05 0.46749229E-05 0.46472116E-05 0.45921795E-05 0.45109408E-05
|
||
|
0.44047325E-05 0.42749037E-05 0.41229046E-05 0.39502747E-05 0.37586318E-05
|
||
|
0.35496598E-05 0.33250972E-05 0.30867255E-05 0.28363574E-05 0.25758253E-05
|
||
|
0.23069700E-05 0.20316302E-05 0.17516308E-05 0.14687739E-05 0.11848277E-05
|
||
|
0.90151797E-06 0.62051876E-06 0.34344415E-06 0.71840458E-07 -0.19282089E-06
|
||
|
-0.44914992E-06 -0.69584394E-06 -0.93169282E-06 -0.11555835E-05 -0.13665037E-05
|
||
|
-0.15635454E-05 -0.17459070E-05 -0.19128953E-05 -0.20639264E-05 -0.21985266E-05
|
||
|
-0.23163315E-05 -0.24170859E-05 -0.25006419E-05 -0.25669570E-05 -0.26160919E-05
|
||
|
-0.26482066E-05 -0.26635576E-05 -0.26624934E-05 -0.26454502E-05 -0.26129471E-05
|
||
|
-0.25655806E-05 -0.25040195E-05 -0.24289986E-05 -0.23413132E-05 -0.22418124E-05
|
||
|
-0.21313931E-05 -0.20109934E-05 -0.18815860E-05 -0.17441715E-05 -0.15997724E-05
|
||
|
-0.14494258E-05 -0.12941775E-05 -0.11350753E-05 -0.97316344E-06 -0.80947578E-06
|
||
|
-0.64503063E-06 -0.48082496E-06 -0.31782919E-06 -0.15698213E-06 0.81362554E-09
|
||
|
0.15469613E-06 0.30384805E-06 0.44750032E-06 0.58493544E-06 0.71549038E-06
|
||
|
0.83855909E-06 0.95359461E-06 0.10601108E-05 0.11576837E-05 0.12459524E-05
|
||
|
0.13246198E-05 0.13934524E-05 0.14522804E-05 0.15009972E-05 0.15395581E-05
|
||
|
0.15679794E-05 0.15863368E-05 0.15947632E-05 0.15934470E-05 0.15826293E-05
|
||
|
0.15626012E-05 0.15337014E-05 0.14963124E-05 0.14508577E-05 0.13977981E-05
|
||
|
0.13376283E-05 0.12708729E-05 0.11980832E-05 0.11198327E-05 0.10367135E-05
|
||
|
0.94933268E-06 0.85830790E-06 0.76426390E-06 0.66782856E-06 0.56962917E-06
|
||
|
0.47028881E-06 0.37042278E-06 0.27063523E-06 0.17151584E-06 0.73636754E-07
|
||
|
-0.22450350E-07 -0.11621704E-06 -0.20716065E-06 -0.29480663E-06 -0.37871069E-06
|
||
|
-0.45846066E-06 -0.53367819E-06 -0.60402017E-06 -0.66917997E-06 -0.72888834E-06
|
||
|
-0.78291417E-06 -0.83106499E-06 -0.87318719E-06 -0.90916604E-06 -0.93892552E-06
|
||
|
-0.96242786E-06 -0.97967293E-06 -0.99069737E-06 -0.99557358E-06 -0.99440850E-06
|
||
|
-0.98734222E-06 -0.97454639E-06 -0.95622258E-06 -0.93260041E-06 -0.90393558E-06
|
||
|
-0.87050782E-06 -0.83261876E-06 -0.79058963E-06 -0.74475898E-06 -0.69548036E-06
|
||
|
-0.64311990E-06 -0.58805387E-06 -0.53066634E-06 -0.47134669E-06 -0.41048730E-06
|
||
|
-0.34848112E-06 -0.28571942E-06 -0.22258952E-06 -0.15947262E-06 -0.96741690E-07
|
||
|
-0.34759510E-07 0.26123270E-07 0.85569902E-07 0.14325921E-06 0.19888712E-06
|
||
|
0.25216812E-06 0.30283646E-06 0.35064736E-06 0.39537793E-06 0.43682808E-06
|
||
|
0.47482113E-06 0.50920444E-06 0.53984972E-06 0.56665331E-06 0.58953627E-06
|
||
|
0.60844430E-06 0.62334761E-06 0.63424050E-06 0.64114095E-06 0.64409004E-06
|
||
|
0.64315118E-06 0.63840931E-06 0.62996999E-06 0.61795830E-06 0.60251778E-06
|
||
|
0.58380916E-06 0.56200908E-06 0.53730878E-06 0.50991264E-06 0.48003673E-06
|
||
|
0.44790733E-06 0.41375939E-06 0.37783498E-06 0.34038176E-06 0.30165137E-06
|
||
|
0.26189796E-06 0.22137656E-06 0.18034168E-06 0.13904573E-06 0.97737668E-07
|
||
|
0.56661590E-07 0.16055386E-07 -0.23850505E-07 -0.62834302E-07 -0.10068400E-06
|
||
|
-0.13719842E-06 -0.17218817E-06 -0.20547651E-06 -0.23690015E-06 -0.26630991E-06
|
||
|
-0.29357137E-06 -0.31856530E-06 -0.34118811E-06 -0.36135214E-06 -0.37898583E-06
|
||
|
-0.39403387E-06 -0.40645718E-06 -0.41623285E-06 -0.42335393E-06 -0.42782919E-06
|
||
|
-0.42968274E-06 -0.42895362E-06 -0.42569528E-06 -0.41997499E-06 -0.41187318E-06
|
||
|
-0.40148273E-06 -0.38890816E-06 -0.37426487E-06 -0.35767816E-06 -0.33928240E-06
|
||
|
-0.31922003E-06 -0.29764058E-06 -0.27469968E-06 -0.25055802E-06 -0.22538032E-06
|
||
|
-0.19933431E-06 -0.17258967E-06 -0.14531702E-06 -0.11768690E-06 -0.89868790E-07
|
||
|
-0.62030114E-07 -0.34335325E-07 -0.69449909E-08 0.19985068E-07 0.46304603E-07
|
||
|
0.71869708E-07 0.96543546E-07 0.12019701E-06 0.14270935E-06 0.16396870E-06
|
||
|
0.18387259E-06 0.20232837E-06 0.21925355E-06 0.23457613E-06 0.24823479E-06
|
||
|
0.26017909E-06 0.27036955E-06 0.27877768E-06 0.28538595E-06 0.29018770E-06
|
||
|
0.29318698E-06 0.29439833E-06 0.29384651E-06 0.29156616E-06 0.28760146E-06
|
||
|
0.28200565E-06 0.27484059E-06 0.26617624E-06 0.25609010E-06 0.24466664E-06
|
||
|
0.23199666E-06 0.21817668E-06 0.20330824E-06 0.18749725E-06 0.17085326E-06
|
||
|
0.15348881E-06 0.13551868E-06 0.11705917E-06 0.98227439E-07 0.79140785E-07
|
||
|
0.59915948E-07 0.40668454E-07 0.21511956E-07 0.25576055E-08 -0.16086553E-07
|
||
|
-0.34316158E-07 -0.52031074E-07 -0.69135908E-07 -0.85540475E-07 -0.10116024E-06
|
||
|
-0.11591673E-06 -0.12973783E-06 -0.14255819E-06 -0.15431938E-06 -0.16497021E-06
|
||
|
-0.17446685E-06 -0.18277296E-06 -0.18985980E-06 -0.19570627E-06 -0.20029885E-06
|
||
|
-0.20363164E-06 -0.20570617E-06 -0.20653135E-06 -0.20612323E-06 -0.20450482E-06
|
||
|
-0.20170583E-06 -0.19776240E-06 -0.19271674E-06 -0.18661683E-06 -0.17951601E-06
|
||
|
-0.17147261E-06 -0.16254950E-06 -0.15281366E-06 -0.14233572E-06 -0.13118949E-06
|
||
|
-0.11945147E-06 -0.10720037E-06 -0.94516600E-07 -0.81481804E-07 -0.68178323E-07
|
||
|
-0.54688730E-07 -0.41095341E-07 -0.27479732E-07 -0.13922284E-07 -0.50172808E-09
|
||
|
0.12705282E-07 0.25624587E-07 0.38184912E-07 0.50318234E-07 0.61960127E-07
|
||
|
0.73050080E-07 0.83531786E-07 0.93353403E-07 0.10246778E-06 0.11083267E-06
|
||
|
0.11841087E-06 0.12517040E-06 0.13108455E-06 0.13613201E-06 0.14029687E-06
|
||
|
0.14356864E-06 0.14594221E-06 0.14741782E-06 0.14800096E-06 0.14770226E-06
|
||
|
0.14653733E-06 0.14452661E-06 0.14169517E-06 0.13807248E-06 0.13369220E-06
|
||
|
0.12859187E-06 0.12281267E-06 0.11639911E-06 0.10939873E-06 0.10186173E-06
|
||
|
0.93840715E-07 0.85390271E-07 0.76566669E-07 0.67427487E-07 0.58031265E-07
|
||
|
0.48437140E-07 0.38704500E-07 0.28892629E-07 0.19060363E-07 0.92657569E-08
|
||
|
-0.43424331E-09 -0.99841167E-08 -0.19330068E-07 -0.28420317E-07 -0.37205365E-07
|
||
|
-0.45638254E-07 -0.53674800E-07 -0.61273806E-07 -0.68397260E-07 -0.75010509E-07
|
||
|
-0.81082407E-07 -0.86585446E-07 -0.91495861E-07 -0.95793712E-07 -0.99462943E-07
|
||
|
-0.10249142E-06 -0.10487093E-06 -0.10659720E-06 -0.10766982E-06 -0.10809223E-06
|
||
|
-0.10787161E-06 -0.10701881E-06 -0.10554821E-06 -0.10347759E-06 -0.10082798E-06
|
||
|
-0.97623492E-07 -0.93891121E-07 -0.89660557E-07 -0.84963968E-07 -0.79835775E-07
|
||
|
-0.74312417E-07 -0.68432114E-07 -0.62234612E-07 -0.55760931E-07 -0.49053109E-07
|
||
|
-0.42153939E-07 -0.35106709E-07 -0.27954945E-07 -0.20742148E-07 -0.13511546E-07
|
||
|
-0.63058444E-08 0.83301788E-09 0.78640996E-08 0.14747682E-07 0.21445485E-07
|
||
|
0.27920865E-07 0.34139010E-07 0.40067115E-07 0.45674541E-07 0.50932969E-07
|
||
|
0.55816525E-07 0.60301903E-07 0.64368457E-07 0.67998289E-07 0.71176312E-07
|
||
|
0.73890296E-07 0.76130904E-07 0.77891700E-07 0.79169146E-07 0.79962585E-07
|
||
|
0.80274201E-07 0.80108966E-07 0.79474572E-07 0.78381349E-07 0.76842165E-07
|
||
|
0.74872317E-07 0.72489407E-07 0.69713207E-07 0.66565512E-07 0.63069985E-07
|
||
|
0.59251995E-07 0.55138441E-07 0.50757576E-07 0.46138825E-07 0.41312591E-07
|
||
|
0.36310071E-07 0.31163059E-07 0.25903752E-07 0.20564558E-07 0.15177903E-07
|
||
|
0.97760438E-08 0.43908777E-08 -0.94623460E-09 -0.62046461E-08 -0.11354592E-07
|
||
|
-0.16367353E-07 -0.21215404E-07 -0.25872565E-07 -0.30314128E-07 -0.34516986E-07
|
||
|
-0.38459745E-07 -0.42122824E-07 -0.45488543E-07 -0.48541205E-07 -0.51267158E-07
|
||
|
-0.53654842E-07 -0.55694838E-07 -0.57379884E-07 -0.58704894E-07 -0.59666956E-07
|
||
|
-0.60265318E-07 -0.60501369E-07 -0.60378593E-07 -0.59902529E-07 -0.59080704E-07
|
||
|
-0.57922569E-07 -0.56439410E-07 -0.54644267E-07 -0.52551824E-07 -0.50178311E-07
|
||
|
-0.47541383E-07 -0.44659997E-07 -0.41554289E-07 -0.38245437E-07 -0.34755526E-07
|
||
|
-0.31107405E-07 -0.27324543E-07 -0.23430889E-07 -0.19450721E-07 -0.15408501E-07
|
||
|
-0.11328731E-07 -0.72358096E-08 -0.31538921E-08 0.89324984E-09 0.48823594E-08
|
||
|
0.87908241E-08 0.12596799E-07 0.16279324E-07 0.19818433E-07 0.23195261E-07
|
||
|
0.26392135E-07 0.29392664E-07 0.32181818E-07 0.34745996E-07 0.37073088E-07
|
||
|
0.39152526E-07 0.40975325E-07 0.42534116E-07 0.43823166E-07 0.44838392E-07
|
||
|
0.45577364E-07 0.46039293E-07 0.46225023E-07 0.46136997E-07 0.45779226E-07
|
||
|
0.45157245E-07 0.44278061E-07 0.43150094E-07 0.41783110E-07 0.40188143E-07
|
||
|
0.38377423E-07 0.36364281E-07 0.34163061E-07 0.31789024E-07 0.29258248E-07
|
||
|
0.26587522E-07 0.23794240E-07 0.20896294E-07 0.17911959E-07 0.14859787E-07
|
||
|
0.11758494E-07 0.86268449E-08 0.54835506E-08 0.23471538E-08 -0.76407368E-09
|
||
|
-0.38322349E-08 -0.68399070E-08 -0.97702370E-08 -0.12607033E-07 -0.15334848E-07
|
||
|
-0.17939065E-07 -0.20405968E-07 -0.22722812E-07 -0.24877885E-07 -0.26860563E-07
|
||
|
-0.28661361E-07 -0.30271969E-07 -0.31685293E-07 -0.32895473E-07 -0.33897910E-07
|
||
|
-0.34689272E-07 -0.35267500E-07 -0.35631805E-07 -0.35782656E-07 -0.35721761E-07
|
||
|
-0.35452043E-07 -0.34977612E-07 -0.34303718E-07 -0.33436716E-07 -0.32384009E-07
|
||
|
-0.31153995E-07 -0.29756007E-07 -0.28200244E-07 -0.26497707E-07 -0.24660117E-07
|
||
|
-0.22699846E-07 -0.20629835E-07 -0.18463506E-07 -0.16214688E-07 -0.13897525E-07
|
||
|
-0.11526390E-07 -0.91158009E-08 -0.66803343E-08 -0.42345381E-08 -0.17928481E-08
|
||
|
0.63049472E-09 0.30215249E-08 0.53666308E-08 0.76526294E-08 0.98668382E-08
|
||
|
0.11997143E-07 0.14032063E-07 0.15960807E-07 0.17773333E-07 0.19460393E-07
|
||
|
0.21013582E-07 0.22425373E-07 0.23689155E-07 0.24799256E-07 0.25750969E-07
|
||
|
0.26540567E-07 0.27165313E-07 0.27623464E-07 0.27914270E-07 0.28037969E-07
|
||
|
0.27995771E-07 0.27789840E-07 0.27423274E-07 0.26900072E-07 0.26225102E-07
|
||
|
0.25404062E-07 0.24443440E-07 0.23350463E-07 0.22133049E-07 0.20799751E-07
|
||
|
0.19359702E-07 0.17822556E-07 0.16198421E-07 0.14497799E-07 0.12731520E-07
|
||
|
kinetic energy density (partial)
|
||
|
0.21349477E+03 0.21342011E+03 0.21319628E+03 0.21282376E+03 0.21230335E+03
|
||
|
0.21163614E+03 0.21082357E+03 0.20986734E+03 0.20876947E+03 0.20753227E+03
|
||
|
0.20615832E+03 0.20465045E+03 0.20301180E+03 0.20124569E+03 0.19935573E+03
|
||
|
0.19734571E+03 0.19521964E+03 0.19298173E+03 0.19063635E+03 0.18818803E+03
|
||
|
0.18564147E+03 0.18300146E+03 0.18027294E+03 0.17746092E+03 0.17457051E+03
|
||
|
0.17160688E+03 0.16857525E+03 0.16548088E+03 0.16232904E+03 0.15912503E+03
|
||
|
0.15587411E+03 0.15258154E+03 0.14925254E+03 0.14589229E+03 0.14250591E+03
|
||
|
0.13909843E+03 0.13567483E+03 0.13223997E+03 0.12879863E+03 0.12535546E+03
|
||
|
0.12191502E+03 0.11848171E+03 0.11505983E+03 0.11165351E+03 0.10826676E+03
|
||
|
0.10490343E+03 0.10156720E+03 0.98261620E+02 0.94990051E+02 0.91755705E+02
|
||
|
0.88561622E+02 0.85410672E+02 0.82305557E+02 0.79248807E+02 0.76242783E+02
|
||
|
0.73289673E+02 0.70391499E+02 0.67550112E+02 0.64767197E+02 0.62044276E+02
|
||
|
0.59382707E+02 0.56783691E+02 0.54248269E+02 0.51777333E+02 0.49371624E+02
|
||
|
0.47031738E+02 0.44758130E+02 0.42551118E+02 0.40410886E+02 0.38337494E+02
|
||
|
0.36330877E+02 0.34390852E+02 0.32517123E+02 0.30709288E+02 0.28966842E+02
|
||
|
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|
0.42279846E-05 0.47248854E-05 0.51868055E-05 0.56115540E-05 0.59971893E-05
|
||
|
0.63420267E-05 0.66446443E-05 0.69038871E-05 0.71188705E-05 0.72889806E-05
|
||
|
0.74138746E-05 0.74934781E-05 0.75279820E-05 0.75178373E-05 0.74637487E-05
|
||
|
0.73666670E-05 0.72277796E-05 0.70485003E-05 0.68304579E-05 0.65754834E-05
|
||
|
0.62855965E-05 0.59629914E-05 0.56100209E-05 0.52291810E-05 0.48230941E-05
|
||
|
0.43944920E-05 0.39461985E-05 0.34811114E-05 0.30021852E-05 0.25124126E-05
|
||
|
0.20148069E-05 0.15123840E-05 0.10081451E-05 0.50505952E-06 0.60476838E-08
|
||
|
-0.48603488E-06 -0.96841324E-06 -0.14384080E-05 -0.18934495E-05 -0.23310909E-05
|
||
|
-0.27490212E-05 -0.31450759E-05 -0.35172483E-05 -0.38636982E-05 -0.41827608E-05
|
||
|
-0.44729532E-05 -0.47329813E-05 -0.49617440E-05 -0.51583370E-05 -0.53220556E-05
|
||
|
-0.54523956E-05 -0.55490537E-05 -0.56119266E-05 -0.56411083E-05 -0.56368876E-05
|
||
|
-0.55997431E-05 -0.55303382E-05 -0.54295147E-05 -0.52982852E-05 -0.51378254E-05
|
||
|
-0.49494647E-05 -0.47346766E-05 -0.44950683E-05 -0.42323693E-05 -0.39484202E-05
|
||
|
-0.36451603E-05 -0.33246148E-05 -0.29888827E-05 -0.26401228E-05 -0.22805412E-05
|
||
|
-0.19123772E-05 -0.15378907E-05 -0.11593481E-05 -0.77900963E-06 -0.39911611E-06
|
||
|
-0.21876383E-07 0.35054511E-06 0.71604025E-06 0.10725687E-05 0.14181687E-05
|
||
|
0.17509678E-05 0.20691918E-05 0.23711745E-05 0.26553655E-05 0.29203378E-05
|
||
|
0.31647945E-05 0.33875746E-05 0.35876579E-05 0.37641693E-05 0.39163818E-05
|
||
|
0.40437189E-05 0.41457564E-05 0.42222220E-05 0.42729961E-05 0.42981096E-05
|
||
|
0.42977426E-05 0.42722208E-05 0.42220123E-05 0.41477228E-05 0.40500907E-05
|
||
|
0.39299807E-05 0.37883775E-05 0.36263788E-05 0.34451871E-05 0.32461017E-05
|
||
|
0.30305098E-05 0.27998775E-05 0.25557405E-05 0.22996937E-05 0.20333820E-05
|
||
|
0.17584895E-05 0.14767296E-05 0.11898345E-05 0.89954516E-06 0.60760065E-06
|
||
|
0.31572845E-06 0.25634335E-07 -0.26100720E-06 -0.54256233E-06 -0.81744693E-06
|
||
|
-0.10841352E-05 -0.13411677E-05 -0.15871594E-05 -0.18208065E-05 -0.20408931E-05
|
||
|
-0.22462975E-05 -0.24359972E-05 -0.26090741E-05 -0.27647181E-05 -0.29022312E-05
|
||
|
-0.30210295E-05 -0.31206458E-05 -0.32007306E-05 -0.32610530E-05 -0.33015002E-05
|
||
|
-0.33220773E-05 -0.33229056E-05 -0.33042202E-05 -0.32663679E-05 -0.32098034E-05
|
||
|
-0.31350853E-05 -0.30428720E-05 -0.29339162E-05 -0.28090597E-05 -0.26692273E-05
|
||
|
-0.25154202E-05 -0.23487098E-05 -0.21702297E-05 -0.19811693E-05 -0.17827655E-05
|
||
|
-0.15762950E-05 -0.13630664E-05 -0.11444125E-05 -0.92168148E-06 -0.69622942E-06
|
||
|
-0.46941202E-06 -0.24257664E-06 -0.17054557E-07 0.20584666E-06 0.42485057E-06
|
||
|
0.63871894E-06 0.84625855E-06 0.10463277E-05 0.12378422E-05 0.14197812E-05
|
||
|
0.15911923E-05 0.17511962E-05 0.18989913E-05 0.20338571E-05 0.21551580E-05
|
||
|
0.22623452E-05 0.23549597E-05 0.24326333E-05 0.24950900E-05 0.25421464E-05
|
||
|
0.25737117E-05 0.25897870E-05 0.25904644E-05 0.25759251E-05 0.25464373E-05
|
||
|
0.25023538E-05 0.24441087E-05 0.23722140E-05 0.22872552E-05 0.21898877E-05
|
||
|
0.20808316E-05 0.19608669E-05 0.18308278E-05 0.16915978E-05 0.15441034E-05
|
||
|
atomic pseudo charge-density
|
||
|
0.90000000E+01 0.89901612E+01 0.89607743E+01 0.89122238E+01 0.88451368E+01
|
||
|
0.87603635E+01 0.86589507E+01 0.85421118E+01 0.84111921E+01 0.82676337E+01
|
||
|
0.81129399E+01 0.79486404E+01 0.77762601E+01 0.75972907E+01 0.74131658E+01
|
||
|
0.72252411E+01 0.70347784E+01 0.68429343E+01 0.66507525E+01 0.64591602E+01
|
||
|
0.62689676E+01 0.60808698E+01 0.58954514E+01 0.57131927E+01 0.55344772E+01
|
||
|
0.53596000E+01 0.51887768E+01 0.50221529E+01 0.48598123E+01 0.47017866E+01
|
||
|
0.45480633E+01 0.43985937E+01 0.42532998E+01 0.41120812E+01 0.39748207E+01
|
||
|
0.38413893E+01 0.37116510E+01 0.35854658E+01 0.34626938E+01 0.33431970E+01
|
||
|
0.32268419E+01 0.31135007E+01 0.30030528E+01 0.28953856E+01 0.27903950E+01
|
||
|
0.26879856E+01 0.25880708E+01 0.24905729E+01 0.23954225E+01 0.23025583E+01
|
||
|
0.22119264E+01 0.21234800E+01 0.20371788E+01 0.19529881E+01 0.18708784E+01
|
||
|
0.17908247E+01 0.17128058E+01 0.16368036E+01 0.15628030E+01 0.14907906E+01
|
||
|
0.14207548E+01 0.13526850E+01 0.12865711E+01 0.12224036E+01 0.11601724E+01
|
||
|
0.10998674E+01 0.10414775E+01 0.98499077E+00 0.93039403E+00 0.87767289E+00
|
||
|
0.82681145E+00 0.77779228E+00 0.73059635E+00 0.68520296E+00 0.64158974E+00
|
||
|
0.59973264E+00 0.55960595E+00 0.52118238E+00 0.48443305E+00 0.44932759E+00
|
||
|
0.41583424E+00 0.38391987E+00 0.35355015E+00 0.32468958E+00 0.29730165E+00
|
||
|
0.27134889E+00 0.24679303E+00 0.22359507E+00 0.20171540E+00 0.18111393E+00
|
||
|
0.16175016E+00 0.14358328E+00 0.12657232E+00 0.11067619E+00 0.95853805E-01
|
||
|
0.82064171E-01 0.69266461E-01 0.57420107E-01 0.46484870E-01 0.36420915E-01
|
||
|
0.27188878E-01 0.18749933E-01 0.11065847E-01 0.40990379E-02 -0.21873773E-02
|
||
|
-0.78295348E-02 -0.12862783E-01 -0.17321643E-01 -0.21239776E-01 -0.24649955E-01
|
||
|
-0.27584034E-01 -0.30072927E-01 -0.32146592E-01 -0.33834009E-01 -0.35163172E-01
|
||
|
-0.36161077E-01 -0.36853713E-01 -0.37266065E-01 -0.37422103E-01 -0.37344789E-01
|
||
|
-0.37056080E-01 -0.36576931E-01 -0.35927304E-01 -0.35126178E-01 -0.34191560E-01
|
||
|
-0.33140498E-01 -0.31989096E-01 -0.30752531E-01 -0.29445070E-01 -0.28080089E-01
|
||
|
-0.26670093E-01 -0.25226737E-01 -0.23760852E-01 -0.22282461E-01 -0.20800808E-01
|
||
|
-0.19324383E-01 -0.17860943E-01 -0.16417542E-01 -0.15000555E-01 -0.13615703E-01
|
||
|
-0.12268082E-01 -0.10962191E-01 -0.97019530E-02 -0.84907500E-02 -0.73314439E-02
|
||
|
-0.62264056E-02 -0.51775418E-02 -0.41863212E-02 -0.32538006E-02 -0.23806509E-02
|
||
|
-0.15671829E-02 -0.81337199E-03 -0.11888294E-03 0.51690589E-03 0.10948790E-02
|
||
|
0.16161609E-02 0.20820934E-02 0.24942142E-02 0.28542356E-02 0.31640242E-02
|
||
|
0.34255814E-02 0.36410242E-02 0.38125672E-02 0.39425053E-02 0.40331969E-02
|
||
|
0.40870485E-02 0.41064992E-02 0.40940068E-02 0.40520344E-02 0.39830378E-02
|
||
|
0.38894540E-02 0.37736896E-02 0.36381114E-02 0.34850368E-02 0.33167249E-02
|
||
|
0.31353693E-02 0.29430904E-02 0.27419299E-02 0.25338445E-02 0.23207016E-02
|
||
|
0.21042748E-02 0.18862406E-02 0.16681757E-02 0.14515545E-02 0.12377477E-02
|
||
|
0.10280213E-02 0.82353605E-03 0.62534766E-03 0.43440722E-03 0.25156236E-03
|
||
|
0.77558686E-04 -0.86958304E-04 -0.24144092E-03 -0.38543664E-03 -0.51858511E-03
|
||
|
-0.64061489E-03 -0.75133989E-03 -0.85065559E-03 -0.93853503E-03 -0.10150246E-02
|
||
|
-0.10802398E-02 -0.11343606E-02 -0.11776270E-02 -0.12103342E-02 -0.12328284E-02
|
||
|
-0.12455013E-02 -0.12487861E-02 -0.12431521E-02 -0.12291008E-02 -0.12071606E-02
|
||
|
-0.11778828E-02 -0.11418368E-02 -0.10996059E-02 -0.10517834E-02 -0.99896802E-03
|
||
|
-0.94176070E-03 -0.88076037E-03 -0.81656073E-03 -0.74974685E-03 -0.68089209E-03
|
||
|
-0.61055520E-03 -0.53927764E-03 -0.46758112E-03 -0.39596538E-03 -0.32490617E-03
|
||
|
-0.25485346E-03 -0.18622992E-03 -0.11942955E-03 -0.54816616E-04 0.72752696E-05
|
||
|
0.66543791E-04 0.12271840E-03 0.17556056E-03 0.22486383E-03 0.27045369E-03
|
||
|
0.31218727E-03 0.34995281E-03 0.38366909E-03 0.41328456E-03 0.43877641E-03
|
||
|
0.46014953E-03 0.47743529E-03 0.49069022E-03 0.49999466E-03 0.50545122E-03
|
||
|
0.50718326E-03 0.50533325E-03 0.50006113E-03 0.49154253E-03 0.47996713E-03
|
||
|
0.46553681E-03 0.44846397E-03 0.42896973E-03 0.40728219E-03 0.38363474E-03
|
||
|
0.35826437E-03 0.33141001E-03 0.30331096E-03 0.27420534E-03 0.24432866E-03
|
||
|
0.21391238E-03 0.18318260E-03 0.15235884E-03 0.12165290E-03 0.91267722E-04
|
||
|
0.61396526E-04 0.32221862E-04 0.39148660E-05 -0.23365424E-04 -0.49472640E-04
|
||
|
-0.74273568E-04 -0.97648518E-04 -0.11949161E-03 -0.13971095E-03 -0.15822873E-03
|
||
|
-0.17498122E-03 -0.18991868E-03 -0.20300517E-03 -0.21421833E-03 -0.22354899E-03
|
||
|
-0.23100084E-03 -0.23658989E-03 -0.24034395E-03 -0.24230210E-03 -0.24251395E-03
|
||
|
-0.24103904E-03 -0.23794605E-03 -0.23331207E-03 -0.22722183E-03 -0.21976682E-03
|
||
|
-0.21104456E-03 -0.20115766E-03 -0.19021305E-03 -0.17832110E-03 -0.16559480E-03
|
||
|
-0.15214893E-03 -0.13809921E-03 -0.12356159E-03 -0.10865141E-03 -0.93482662E-04
|
||
|
-0.78167347E-04 -0.62814741E-04 -0.47530793E-04 -0.32417526E-04 -0.17572494E-04
|
||
|
-0.30882820E-05 0.10947947E-04 0.24454852E-04 0.37357267E-04 0.49586502E-04
|
||
|
0.61080590E-04 0.71784487E-04 0.81650219E-04 0.90636971E-04 0.98711143E-04
|
||
|
0.10584634E-03 0.11202332E-03 0.11722992E-03 0.12146088E-03 0.12471770E-03
|
||
|
0.12700840E-03 0.12834728E-03 0.12875462E-03 0.12825638E-03 0.12688382E-03
|
||
|
0.12467317E-03 0.12166521E-03 0.11790487E-03 0.11344081E-03 0.10832497E-03
|
||
|
0.10261213E-03 0.96359472E-04 0.89626101E-04 0.82472611E-04 0.74960629E-04
|
||
|
0.67152372E-04 0.59110213E-04 0.50896260E-04 0.42571947E-04 0.34197640E-04
|
||
|
0.25832266E-04 0.17532961E-04 0.93547346E-05 0.13501673E-05 -0.64308747E-05
|
||
|
-0.13941494E-04 -0.21137994E-04 -0.27980074E-04 -0.34431010E-04 -0.40457792E-04
|
||
|
-0.46031244E-04 -0.51126109E-04 -0.55721105E-04 -0.59798957E-04 -0.63346401E-04
|
||
|
-0.66354155E-04 -0.68816871E-04 -0.70733061E-04 -0.72104997E-04 -0.72938588E-04
|
||
|
-0.73243241E-04 -0.73031698E-04 -0.72319856E-04 -0.71126572E-04 -0.69473456E-04
|
||
|
-0.67384643E-04 -0.64886567E-04 -0.62007711E-04 -0.58778366E-04 -0.55230370E-04
|
||
|
-0.51396854E-04 -0.47311982E-04 -0.43010693E-04 -0.38528441E-04 -0.33900942E-04
|
||
|
-0.29163928E-04 -0.24352905E-04 -0.19502915E-04 -0.14648317E-04 -0.98225688E-05
|
||
|
-0.50580294E-05 -0.38576717E-06 0.41646146E-05 0.85651382E-05 0.12789597E-04
|
||
|
0.16813686E-04 0.20615113E-04 0.24173699E-04 0.27471454E-04 0.30492645E-04
|
||
|
0.33223838E-04 0.35653932E-04 0.37774167E-04 0.39578127E-04 0.41061718E-04
|
||
|
0.42223136E-04 0.43062816E-04 0.43583376E-04 0.43789534E-04 0.43688030E-04
|
||
|
0.43287521E-04 0.42598473E-04 0.41633048E-04 0.40404971E-04 0.38929403E-04
|
||
|
0.37222795E-04 0.35302749E-04 0.33187865E-04 0.30897592E-04 0.28452074E-04
|
||
|
0.25871997E-04 0.23178431E-04 0.20392685E-04 0.17536151E-04 0.14630158E-04
|
||
|
0.11695834E-04 0.87539611E-05 0.58248520E-05 0.29282184E-05 0.83056169E-07
|
||
|
-0.26924654E-05 -0.53811057E-05 -0.79666453E-05 -0.10433970E-04 -0.12769145E-04
|
||
|
-0.14959480E-04 -0.16993581E-04 -0.18861400E-04 -0.20554262E-04 -0.22064895E-04
|
||
|
-0.23387444E-04 -0.24517472E-04 -0.25451954E-04 -0.26189269E-04 -0.26729170E-04
|
||
|
-0.27072753E-04 -0.27222419E-04 -0.27181822E-04 -0.26955818E-04 -0.26550399E-04
|
||
|
-0.25972626E-04 -0.25230558E-04 -0.24333169E-04 -0.23290269E-04 -0.22112417E-04
|
||
|
-0.20810829E-04 -0.19397291E-04 -0.17884064E-04 -0.16283789E-04 -0.14609394E-04
|
||
|
-0.12874003E-04 -0.11090837E-04 -0.92731302E-05 -0.74340344E-05 -0.55865372E-05
|
||
|
-0.37433766E-05 -0.19169625E-05 -0.11930059E-06 0.16380779E-05 0.33441828E-05
|
||
|
0.49886253E-05 0.65616739E-05 0.80543038E-05 0.94582408E-05 0.10765999E-04
|
||
|
0.11970913E-04 0.13067163E-04 0.14049793E-04 0.14914725E-04 0.15658768E-04
|
||
|
0.16279613E-04 0.16775835E-04 0.17146877E-04 0.17393036E-04 0.17515440E-04
|
||
|
0.17516025E-04 0.17397498E-04 0.17163307E-04 0.16817597E-04 0.16365169E-04
|
||
|
0.15811433E-04 0.15162356E-04 0.14424412E-04 0.13604528E-04 0.12710024E-04
|
||
|
0.11748560E-04 0.10728075E-04 0.96567278E-05 0.85428395E-05 0.73948331E-05
|
||
|
0.62211759E-05 0.50303221E-05 0.38306573E-05 0.26304439E-05 0.14377694E-05
|
||
|
0.26049612E-06 -0.89378570E-06 -0.20178024E-05 -0.31046383E-05 -0.41477737E-05
|
||
|
-0.51411195E-05 -0.60790485E-05 -0.69564222E-05 -0.77686151E-05 -0.85115336E-05
|
||
|
-0.91816322E-05 -0.97759253E-05 -0.10291995E-04 -0.10727994E-04 -0.11082648E-04
|
||
|
-0.11355251E-04 -0.11545657E-04 -0.11654270E-04 -0.11682031E-04 -0.11630398E-04
|
||
|
-0.11501330E-04 -0.11297258E-04 -0.11021063E-04 -0.10676048E-04 -0.10265905E-04
|
||
|
-0.97946846E-05 -0.92667616E-05 -0.86867993E-05 -0.80597130E-05 -0.73906327E-05
|
||
|
-0.66848647E-05 -0.59478531E-05 -0.51851416E-05 -0.44023345E-05 -0.36050589E-05
|
||
|
-0.27989271E-05 -0.19895000E-05 -0.11822515E-05 -0.38253440E-06 0.40445290E-06
|
||
|
0.11736971E-05 0.19203995E-05 0.26400035E-05 0.33282197E-05 0.39810489E-05
|
||
|
0.45948030E-05 0.51661231E-05 0.56919952E-05 0.61697637E-05 0.65971417E-05
|
||
|
0.69722192E-05 0.72934685E-05 0.75597472E-05 0.77702981E-05 0.79247472E-05
|
||
|
0.80230990E-05 0.80657295E-05 0.80533765E-05 0.79871284E-05 0.78684108E-05
|
||
|
0.76989702E-05 0.74808575E-05 0.72164084E-05 0.69082230E-05 0.65591444E-05
|
||
|
0.61722348E-05 0.57507522E-05 0.52981252E-05 0.48179274E-05 0.43138514E-05
|
||
|
0.37896824E-05 0.32492718E-05 0.26965106E-05 0.21353035E-05 0.15695423E-05
|
||
|
0.10030815E-05 0.43971269E-06 -0.11685846E-06 -0.66303556E-06 -0.11953531E-05
|
||
|
-0.17104968E-05 -0.22053232E-05 -0.26768770E-05 -0.31224074E-05 -0.35393829E-05
|
||
|
-0.39255041E-05 -0.42787147E-05 -0.45972113E-05 -0.48794510E-05 -0.51241568E-05
|
||
|
-0.53303220E-05 -0.54972124E-05 -0.56243662E-05 -0.57115929E-05 -0.57589702E-05
|
||
|
-0.57668385E-05 -0.57357953E-05 -0.56666863E-05 -0.55605962E-05 -0.54188376E-05
|
||
|
-0.52429386E-05 -0.50346295E-05 -0.47958279E-05 -0.45286233E-05 -0.42352604E-05
|
||
|
-0.39181218E-05 -0.35797103E-05 -0.32226304E-05 -0.28495695E-05 -0.24632787E-05
|
||
|
-0.20665539E-05 -0.16622164E-05 -0.12530940E-05 -0.84200229E-06 -0.43172585E-06
|
||
|
-0.25000718E-07 0.37550319E-06 0.76719865E-06 0.11475971E-05 0.15143233E-05
|
||
|
0.18651300E-05 0.21979101E-05 0.25107091E-05 0.28017354E-05 0.30693699E-05
|
||
|
0.33121741E-05 0.35288972E-05 0.37184811E-05 0.38800650E-05 0.40129880E-05
|
||
|
0.41167907E-05 0.41912149E-05 0.42362030E-05 0.42518948E-05 0.42386242E-05
|
||
|
0.41969137E-05 0.41274684E-05 0.40311689E-05 0.39090625E-05 0.37623538E-05
|
||
|
0.35923949E-05 0.34006736E-05 0.31888021E-05 0.29585042E-05 0.27116021E-05
|
||
|
0.24500030E-05 0.21756852E-05 0.18906838E-05 0.15970761E-05 0.12969675E-05
|
||
|
0.99247684E-06 0.68572185E-06 0.37880530E-06 0.73801014E-07 -0.22725964E-06
|
||
|
-0.52240070E-06 -0.80971412E-06 -0.10873716E-05 -0.13536356E-05 -0.16068699E-05
|
||
|
-0.18455493E-05 -0.20682678E-05 -0.22737469E-05 -0.24608423E-05 -0.26285493E-05
|
||
|
-0.27760085E-05 -0.29025086E-05 -0.30074898E-05 -0.30905454E-05 -0.31514223E-05
|
||
|
-0.31900204E-05 -0.32063917E-05 -0.32007375E-05 -0.31734050E-05 -0.31248833E-05
|
||
|
-0.30557979E-05 -0.29669045E-05 -0.28590827E-05 -0.27333276E-05 -0.25907423E-05
|
||
|
-0.24325285E-05 -0.22599772E-05 -0.20744588E-05 -0.18774127E-05 -0.16703368E-05
|
||
|
-0.14547764E-05 -0.12323131E-05 -0.10045540E-05 -0.77311996E-06 -0.53963471E-06
|
||
|
-0.30571383E-06 -0.72953921E-07 0.15707804E-06 0.38285485E-06 0.60289890E-06
|
||
|
0.81579155E-06 0.10201819E-05 0.12147952E-05 0.13984403E-05 0.15700166E-05
|
||
|
0.17285205E-05 0.18730508E-05 0.20028134E-05 0.21171254E-05 0.22154182E-05
|
||
|
0.22972397E-05 0.23622561E-05 0.24102523E-05 0.24411321E-05 0.24549170E-05
|
||
|
0.24517446E-05 0.24318663E-05 0.23956436E-05 0.23435447E-05 0.22761398E-05
|
||
|
0.21940954E-05 0.20981692E-05 0.19892032E-05 0.18681170E-05 0.17359008E-05
|
||
|
0.15936072E-05 0.14423435E-05 0.12832634E-05 0.11175587E-05 0.94645017E-06
|
||
|
0.77117935E-06 0.59299959E-06 0.41316731E-06 0.23293349E-06 0.53535139E-07
|
||
|
-0.12381296E-06 -0.29792621E-06 -0.46765792E-06 -0.63190662E-06 -0.78962299E-06
|
||
|
-0.93981630E-06 -0.10815604E-05 -0.12139994E-05 -0.13363521E-05 -0.14479169E-05
|
||
|
-0.15480751E-05 -0.16362943E-05 -0.17121308E-05 -0.17752313E-05 -0.18253344E-05
|
||
|
-0.18622710E-05 -0.18859643E-05 -0.18964289E-05 -0.18937698E-05 -0.18781804E-05
|
||
|
-0.18499396E-05 -0.18094095E-05 -0.17570311E-05 -0.16933207E-05 -0.16188651E-05
|
||
|
-0.15343171E-05 -0.14403894E-05 -0.13378495E-05 -0.12275138E-05 -0.11102410E-05
|
||
|
-0.98692559E-06 -0.85849188E-06 -0.72588665E-06 -0.59007265E-06 -0.45202179E-06
|
||
|
-0.31270831E-06 -0.17310213E-06 -0.34162251E-07 0.10316965E-06 0.23797544E-06
|
||
|
0.36936647E-06 0.49648932E-06 0.61853108E-06 0.73472446E-06 0.84435235E-06
|
||
|
0.94675210E-06 0.10413193E-05 0.11275112E-05 0.12048495E-05 0.12729227E-05
|
||
|
0.13313883E-05 0.13799739E-05 0.14184783E-05 0.14467719E-05 0.14647966E-05
|
||
|
0.14725652E-05 0.14701603E-05 0.14577332E-05 0.14355014E-05 0.14037466E-05
|
||
|
0.13628116E-05 0.13130976E-05 0.12550602E-05 0.11892059E-05 0.11160878E-05
|
||
|
0.10363012E-05 0.95047888E-06 0.85928666E-06 0.76341798E-06 0.66358901E-06
|
||
|
0.56053343E-06 0.45499717E-06 0.34773317E-06 0.23949616E-06 0.13103747E-06
|
||
|
0.23099951E-07 -0.83586951E-07 -0.18831201E-06 -0.29038682E-06 -0.38915018E-06
|
||
|
-0.48397222E-06 -0.57425832E-06 -0.65945260E-06 -0.73904130E-06 -0.81255560E-06
|
||
|
-0.87957430E-06 -0.93972599E-06 -0.99269092E-06 -0.10382025E-05 -0.10760485E-05
|
||
|
-0.11060713E-05 -0.11281691E-05 -0.11422949E-05 -0.11484568E-05 -0.11467168E-05
|
||
|
-0.11371899E-05 -0.11200423E-05 -0.10954900E-05 -0.10637963E-05 -0.10252697E-05
|
||
|
-0.98026083E-06 -0.92915988E-06 -0.87239318E-06 -0.81041991E-06 -0.74372855E-06
|
||
|
-0.67283316E-06 -0.59826960E-06 -0.52059154E-06 -0.44036653E-06 -0.35817195E-06
|
||
|
-0.27459099E-06 -0.19020857E-06 -0.10560744E-06 -0.21364187E-07 0.61954525E-07
|
||
|
0.14379569E-06 0.22362350E-06 0.30092276E-06 0.37520207E-06 0.44599688E-06
|
||
|
0.51287219E-06 0.57542521E-06 0.63328755E-06 0.68612732E-06 0.73365087E-06
|
||
|
0.77560427E-06 0.81177448E-06 0.84199028E-06 0.86612288E-06 0.88408618E-06
|
||
|
0.89583684E-06 0.90137400E-06 0.90073872E-06 0.89401315E-06 0.88131948E-06
|
||
|
0.86281854E-06 0.83870824E-06 0.80922178E-06 0.77462559E-06 0.73521710E-06
|
||
|
0.69132240E-06 0.64329361E-06 0.59150624E-06 0.53635630E-06 0.47825745E-06
|
||
|
0.41763795E-06 0.35493763E-06 0.29060478E-06 0.22509302E-06 0.15885823E-06
|
||
|
0.92355445E-07 0.26035805E-07 -0.39656389E-07 -0.10428658E-06 -0.16743274E-06
|
||
|
-0.22868803E-06 -0.28766335E-06 -0.34398968E-06 -0.39732035E-06 -0.44733303E-06
|
||
|
-0.49373162E-06 -0.53624788E-06 -0.57464286E-06 -0.60870818E-06 -0.63826700E-06
|
||
|
-0.66317485E-06 -0.68332013E-06 -0.69862452E-06 -0.70904306E-06 -0.71456402E-06
|
||
|
-0.71520861E-06 -0.71103041E-06 -0.70211461E-06 -0.68857709E-06 -0.67056324E-06
|
||
|
-0.64824663E-06 -0.62182754E-06 -0.59153129E-06 -0.55760642E-06 -0.52032280E-06
|
||
|
-0.47996952E-06 -0.43685278E-06 -0.39129364E-06 -0.34362569E-06 -0.29419272E-06
|
||
|
-0.24334626E-06 -0.19144322E-06 -0.13884340E-06 -0.85907076E-07 -0.32992628E-07
|
||
|
0.19545846E-07 0.71360819E-07 0.12211357E-06 0.17147634E-06 0.21913436E-06
|
||
|
0.26478782E-06 0.30815366E-06 0.34896730E-06 0.38698412E-06 0.42198094E-06
|
||
|
0.45375718E-06 0.48213600E-06 0.50696516E-06 0.52811779E-06 0.54549292E-06
|
||
|
0.55901589E-06 0.56863851E-06 0.57433914E-06 0.57612249E-06 0.57401934E-06
|
||
|
0.56808599E-06 0.55840368E-06 0.54507772E-06 0.52823656E-06 0.50803067E-06
|
||
|
0.48463128E-06 0.45822910E-06 0.42903274E-06 0.39726721E-06 0.36317222E-06
|
||
|
0.32700045E-06 0.28901572E-06 0.24949114E-06 0.20870717E-06 0.16694974E-06
|
||
|
0.12450824E-06 0.81673603E-07 0.38736355E-07 -0.40153211E-08 -0.46297457E-07
|
||
|
-0.87832141E-07 -0.12834930E-06 -0.16758840E-06 -0.20530010E-06 -0.24124775E-06
|
||
|
-0.27520889E-06 -0.30697651E-06 -0.33636034E-06 -0.36318791E-06 -0.38730549E-06
|
||
|
-0.40857899E-06 -0.42689460E-06 -0.44215936E-06 -0.45430159E-06 -0.46327113E-06
|
||
|
-0.46903949E-06 -0.47159979E-06 -0.47096665E-06 -0.46717582E-06 -0.46028378E-06
|
||
|
-0.45036716E-06 -0.43752202E-06 -0.42186304E-06 -0.40352256E-06 -0.38264954E-06
|
||
|
-0.35940844E-06 -0.33397792E-06 -0.30654955E-06 -0.27732642E-06 -0.24652167E-06
|
||
|
-0.21435697E-06 -0.18106098E-06 -0.14686774E-06 -0.11201510E-06 -0.76743057E-07
|
||
|
-0.41292174E-07 -0.59019518E-08 0.29190747E-07 0.63753255E-07 0.97558607E-07
|
||
|
0.13038700E-06 0.16202722E-06 0.19227790E-06 0.22094887E-06 0.24786226E-06
|
||
|
12.4721915246209 T
|
||
|
Non local Part
|
||
|
0 2 1.61767766116753
|
||
|
2.85441786927750 5.80662735386990 5.80662735386990
|
||
|
12.2191901486212
|
||
|
Reciprocal Space Part
|
||
|
0.18766722E+02 0.18515664E+02 0.17767061E+02 0.16534529E+02 0.14840449E+02
|
||
|
0.12715514E+02 0.10198100E+02 0.73334864E+01 0.41729387E+01 0.77267590E+00
|
||
|
-0.28072563E+01 -0.65041797E+01 -0.10254020E+02 -0.13992558E+02 -0.17656665E+02
|
||
|
-0.21185508E+02 -0.24521677E+02 -0.27612235E+02 -0.30409657E+02 -0.32872632E+02
|
||
|
-0.34966735E+02 -0.36664933E+02 -0.37947934E+02 -0.38804361E+02 -0.39230772E+02
|
||
|
-0.39231498E+02 -0.38818336E+02 -0.38010094E+02 -0.36831998E+02 -0.35314987E+02
|
||
|
-0.33494911E+02 -0.31411649E+02 -0.29108174E+02 -0.26629584E+02 -0.24022126E+02
|
||
|
-0.21332228E+02 -0.18605567E+02 -0.15886189E+02 -0.13215699E+02 -0.10632543E+02
|
||
|
-0.81713798E+01 -0.58625734E+01 -0.37317941E+01 -0.17997462E+01 -0.82015359E-01
|
||
|
0.14109619E+01 0.26738135E+01 0.37060385E+01 0.45117143E+01 0.50991170E+01
|
||
|
0.54802670E+01 0.56704162E+01 0.56874895E+01 0.55514992E+01 0.52839453E+01
|
||
|
0.49072194E+01 0.44440248E+01 0.39168273E+01 0.33473478E+01 0.27561077E+01
|
||
|
0.21620350E+01 0.15821368E+01 0.10312439E+01 0.52182835E+00 0.63894798E-01
|
||
|
-0.33505688E+00 -0.67000054E+00 -0.93829024E+00 -0.11395105E+01 -0.12752785E+01
|
||
|
-0.13490064E+01 -0.13656335E+01 -0.13313375E+01 -0.12532341E+01 -0.11390752E+01
|
||
|
-0.99695282E+00 -0.83501845E+00 -0.66122361E+00 -0.48308827E+00 -0.30750184E+00
|
||
|
-0.14056004E+00 0.12559769E-01 0.14768414E+00 0.26169006E+00 0.35251397E+00
|
||
|
0.41912576E+00 0.46147118E+00 0.48038668E+00 0.47749170E+00 0.45506325E+00
|
||
|
0.41589833E+00 0.36316959E+00 0.30027934E+00 0.23071707E+00 0.15792487E+00
|
||
|
0.85174832E-01 0.15461663E-01 -0.48586795E-01 -0.10477934E+00 -0.15141039E+00
|
||
|
Real Space Part
|
||
|
-0.40920544E+02 -0.40909694E+02 -0.40877109E+02 -0.40822683E+02 -0.40746243E+02
|
||
|
-0.40647548E+02 -0.40526293E+02 -0.40382113E+02 -0.40214586E+02 -0.40023239E+02
|
||
|
-0.39807553E+02 -0.39566971E+02 -0.39300902E+02 -0.39008730E+02 -0.38689823E+02
|
||
|
-0.38343538E+02 -0.37969234E+02 -0.37566276E+02 -0.37134051E+02 -0.36671971E+02
|
||
|
-0.36179485E+02 -0.35656091E+02 -0.35101341E+02 -0.34514855E+02 -0.33896329E+02
|
||
|
-0.33245543E+02 -0.32562372E+02 -0.31846791E+02 -0.31098889E+02 -0.30318871E+02
|
||
|
-0.29507069E+02 -0.28663947E+02 -0.27790106E+02 -0.26886294E+02 -0.25953402E+02
|
||
|
-0.24992476E+02 -0.24004715E+02 -0.22991477E+02 -0.21954274E+02 -0.20894779E+02
|
||
|
-0.19814821E+02 -0.18716384E+02 -0.17601605E+02 -0.16472772E+02 -0.15332316E+02
|
||
|
-0.14182806E+02 -0.13026948E+02 -0.11867568E+02 -0.10707615E+02 -0.95501421E+01
|
||
|
-0.83983019E+01 -0.72553348E+01 -0.61245573E+01 -0.50093500E+01 -0.39131449E+01
|
||
|
-0.28394121E+01 -0.17916461E+01 -0.77335145E+00 0.21197180E+00 0.11608429E+01
|
||
|
0.20698156E+01 0.29354933E+01 0.37545448E+01 0.45237191E+01 0.52398607E+01
|
||
|
0.58999251E+01 0.65009931E+01 0.70402859E+01 0.75151786E+01 0.79232141E+01
|
||
|
0.82621163E+01 0.85298024E+01 0.87243948E+01 0.88442308E+01 0.88878524E+01
|
||
|
0.88539215E+01 0.87488155E+01 0.86021010E+01 0.84191385E+01 0.82017568E+01
|
||
|
0.79519222E+01 0.76717471E+01 0.73634252E+01 0.70291582E+01 0.66711120E+01
|
||
|
0.62913668E+01 0.58918787E+01 0.54744613E+01 0.50407861E+01 0.45923766E+01
|
||
|
0.41306522E+01 0.36569290E+01 0.31724615E+01 0.26784990E+01 0.21763105E+01
|
||
|
0.16669032E+01 0.11513463E+01 0.64086194E+00 0.77994375E-01 -0.10098230E-14
|
||
|
Reciprocal Space Part
|
||
|
0.16502654E+01 0.17410852E+01 0.20117267E+01 0.24567748E+01 0.30673315E+01
|
||
|
0.38312040E+01 0.47331621E+01 0.57552583E+01 0.68772044E+01 0.80767945E+01
|
||
|
0.93303669E+01 0.10613292E+02 0.11900478E+02 0.13166879E+02 0.14388001E+02
|
||
|
0.15540384E+02 0.16602064E+02 0.17552992E+02 0.18375408E+02 0.19054160E+02
|
||
|
0.19576965E+02 0.19934605E+02 0.20121050E+02 0.20133518E+02 0.19972462E+02
|
||
|
0.19641486E+02 0.19147201E+02 0.18499023E+02 0.17708907E+02 0.16791045E+02
|
||
|
0.15761517E+02 0.14637918E+02 0.13438959E+02 0.12184060E+02 0.10892941E+02
|
||
|
0.95852133E+01 0.82800005E+01 0.69955711E+01 0.57490097E+01 0.45559243E+01
|
||
|
0.34301983E+01 0.23837884E+01 0.14265749E+01 0.56626201E+00 -0.19166807E+00
|
||
|
-0.84395109E+00 -0.13894874E+01 -0.18292431E+01 -0.21661106E+01 -0.24047320E+01
|
||
|
-0.25512941E+01 -0.26132976E+01 -0.25993106E+01 -0.25187112E+01 -0.23814258E+01
|
||
|
-0.21976717E+01 -0.19777069E+01 -0.17315959E+01 -0.14689943E+01 -0.11989578E+01
|
||
|
-0.92977760E+00 -0.66884670E+00 -0.42255662E+00 -0.19622680E+00 0.59341326E-02
|
||
|
0.18083607E+00 0.32648588E+00 0.44193902E+00 0.52722736E+00 0.58326663E+00
|
||
|
0.61174747E+00 0.61501402E+00 0.59593424E+00 0.55776625E+00 0.50402441E+00
|
||
|
0.43834928E+00 0.36438456E+00 0.28566426E+00 0.20551248E+00 0.12695794E+00
|
||
|
0.52664615E-01 -0.15120578E-01 -0.74602758E-01 -0.12445689E+00 -0.16382919E+00
|
||
|
-0.19232323E+00 -0.20997240E+00 -0.21720045E+00 -0.21477241E+00 -0.20373805E+00
|
||
|
-0.18537025E+00 -0.16110073E+00 -0.13245541E+00 -0.10099152E+00 -0.68238487E-01
|
||
|
-0.35644334E-01 -0.45289296E-02 0.23954709E-01 0.48850334E-01 0.69419161E-01
|
||
|
Real Space Part
|
||
|
0.20859380E+02 0.20854159E+02 0.20838481E+02 0.20812296E+02 0.20775523E+02
|
||
|
0.20728050E+02 0.20669735E+02 0.20600408E+02 0.20519870E+02 0.20427903E+02
|
||
|
0.20324264E+02 0.20208692E+02 0.20080911E+02 0.19940633E+02 0.19787563E+02
|
||
|
0.19621400E+02 0.19441842E+02 0.19248594E+02 0.19041365E+02 0.18819880E+02
|
||
|
0.18583878E+02 0.18333123E+02 0.18067401E+02 0.17786531E+02 0.17490366E+02
|
||
|
0.17178798E+02 0.16851763E+02 0.16509242E+02 0.16151270E+02 0.15777934E+02
|
||
|
0.15389381E+02 0.14985818E+02 0.14567516E+02 0.14134813E+02 0.13688113E+02
|
||
|
0.13227893E+02 0.12754700E+02 0.12269155E+02 0.11771950E+02 0.11263852E+02
|
||
|
0.10745699E+02 0.10218403E+02 0.96829469E+01 0.91403818E+01 0.85918272E+01
|
||
|
0.80384673E+01 0.74815481E+01 0.69223745E+01 0.63623060E+01 0.58027534E+01
|
||
|
0.52451732E+01 0.46910636E+01 0.41419589E+01 0.35994242E+01 0.30650491E+01
|
||
|
0.25404422E+01 0.20272244E+01 0.15270225E+01 0.10414626E+01 0.57216290E+00
|
||
|
0.12072728E+00 -0.31126215E+00 -0.72225193E+00 -0.11107243E+01 -0.14752043E+01
|
||
|
-0.18142666E+01 -0.21265423E+01 -0.24107261E+01 -0.26655821E+01 -0.28899504E+01
|
||
|
-0.30827536E+01 -0.32430018E+01 -0.33697986E+01 -0.34623456E+01 -0.35199384E+01
|
||
|
-0.35419318E+01 -0.35309273E+01 -0.34993384E+01 -0.34495170E+01 -0.33823418E+01
|
||
|
-0.32987535E+01 -0.31997578E+01 -0.30863975E+01 -0.29597210E+01 -0.28207627E+01
|
||
|
-0.26705204E+01 -0.25099385E+01 -0.23398989E+01 -0.21612203E+01 -0.19746552E+01
|
||
|
-0.17809082E+01 -0.15806364E+01 -0.13744664E+01 -0.11630201E+01 -0.94692468E+00
|
||
|
-0.72668963E+00 -0.50284908E+00 -0.28038825E+00 -0.34163112E-01 0.45393806E-15
|
||
|
Non local Part
|
||
|
1 2 1.61767766116753
|
||
|
-2.75042960852877 -2.70138633641877 -2.70138633641877
|
||
|
-2.70873679029286
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 -0.32922722E+01 -0.65232786E+01 -0.96328703E+01 -0.12563110E+02
|
||
|
-0.15259325E+02 -0.17671093E+02 -0.19753149E+02 -0.21466193E+02 -0.22777573E+02
|
||
|
-0.23661853E+02 -0.24101230E+02 -0.24085814E+02 -0.23613749E+02 -0.22691190E+02
|
||
|
-0.21332120E+02 -0.19558032E+02 -0.17397465E+02 -0.14885414E+02 -0.12062627E+02
|
||
|
-0.89747982E+01 -0.56716852E+01 -0.22061531E+01 0.13668207E+01 0.49911681E+01
|
||
|
0.86107568E+01 0.12170401E+02 0.15616834E+02 0.18899634E+02 0.21972067E+02
|
||
|
0.24791856E+02 0.27321837E+02 0.29530516E+02 0.31392496E+02 0.32888783E+02
|
||
|
0.34006963E+02 0.34741243E+02 0.35092375E+02 0.35067443E+02 0.34679547E+02
|
||
|
0.33947373E+02 0.32894669E+02 0.31549643E+02 0.29944285E+02 0.28113648E+02
|
||
|
0.26095089E+02 0.23927484E+02 0.21650455E+02 0.19303600E+02 0.16925753E+02
|
||
|
0.14554293E+02 0.12224508E+02 0.99690181E+01 0.78172902E+01 0.57952251E+01
|
||
|
0.39248416E+01 0.22240511E+01 0.70652773E+00 -0.61832828E+00 -0.17453370E+01
|
||
|
-0.26733995E+01 -0.34052799E+01 -0.39473169E+01 -0.43090739E+01 -0.45029385E+01
|
||
|
-0.45436831E+01 -0.44479968E+01 -0.42340019E+01 -0.39207660E+01 -0.35278213E+01
|
||
|
-0.30747009E+01 -0.25805034E+01 -0.20634928E+01 -0.15407431E+01 -0.10278311E+01
|
||
|
-0.53858483E+00 -0.84888438E-01 0.32345334E+00 0.67879221E+00 0.97565558E+00
|
||
|
0.12107109E+01 0.13826796E+01 0.14922042E+01 0.15416774E+01 0.15350358E+01
|
||
|
0.14775294E+01 0.13754716E+01 0.12359787E+01 0.10667055E+01 0.87558497E+00
|
||
|
0.67057794E+00 0.45943941E+00 0.24950657E+00 0.47512976E-01 -0.14056754E+00
|
||
|
-0.30964475E+00 -0.45560211E+00 -0.57535273E+00 -0.66686147E+00 -0.72913473E+00
|
||
|
Real Space Part
|
||
|
0.00000000E+00 0.23493613E+01 0.46906635E+01 0.70158725E+01 0.93170039E+01
|
||
|
0.11586148E+02 0.13815496E+02 0.15997363E+02 0.18124213E+02 0.20188686E+02
|
||
|
0.22183622E+02 0.24102084E+02 0.25937386E+02 0.27683114E+02 0.29333154E+02
|
||
|
0.30881714E+02 0.32323348E+02 0.33652981E+02 0.34865929E+02 0.35957926E+02
|
||
|
0.36925139E+02 0.37764195E+02 0.38472197E+02 0.39046745E+02 0.39485951E+02
|
||
|
0.39788457E+02 0.39953447E+02 0.39980662E+02 0.39870410E+02 0.39623574E+02
|
||
|
0.39241618E+02 0.38726591E+02 0.38081132E+02 0.37308461E+02 0.36412385E+02
|
||
|
0.35397280E+02 0.34268091E+02 0.33030312E+02 0.31689970E+02 0.30253609E+02
|
||
|
0.28728262E+02 0.27121428E+02 0.25441039E+02 0.23695427E+02 0.21893288E+02
|
||
|
0.20043642E+02 0.18155788E+02 0.16239258E+02 0.14303766E+02 0.12359159E+02
|
||
|
0.10415359E+02 0.84823071E+01 0.65699036E+01 0.46879464E+01 0.28460682E+01
|
||
|
0.10536727E+01 -0.68013052E+00 -0.23465918E+01 -0.39373868E+01 -0.54446822E+01
|
||
|
-0.68612004E+01 -0.81802833E+01 -0.93959543E+01 -0.10502979E+02 -0.11496923E+02
|
||
|
-0.12374207E+02 -0.13132159E+02 -0.13769061E+02 -0.14284197E+02 -0.14677886E+02
|
||
|
-0.14951524E+02 -0.15107610E+02 -0.15149771E+02 -0.15082778E+02 -0.14912587E+02
|
||
|
-0.14646449E+02 -0.14284231E+02 -0.13801367E+02 -0.13203178E+02 -0.12500377E+02
|
||
|
-0.11704760E+02 -0.10829111E+02 -0.98871834E+01 -0.88936887E+01 -0.78642374E+01
|
||
|
-0.68153001E+01 -0.57641318E+01 -0.47286990E+01 -0.37275654E+01 -0.27798040E+01
|
||
|
-0.19048477E+01 -0.11223891E+01 -0.45224682E+00 0.85797389E-01 0.47212329E+00
|
||
|
0.68700991E+00 0.71113534E+00 0.53793981E+00 0.77823688E-01 -0.10303359E-14
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.42281220E+01 0.83843738E+01 0.12398163E+02 0.16201427E+02
|
||
|
0.19729840E+02 0.22923942E+02 0.25730177E+02 0.28101823E+02 0.29999779E+02
|
||
|
0.31393216E+02 0.32260069E+02 0.32587363E+02 0.32371361E+02 0.31617552E+02
|
||
|
0.30340457E+02 0.28563276E+02 0.26317372E+02 0.23641617E+02 0.20581599E+02
|
||
|
0.17188717E+02 0.13519188E+02 0.96329644E+01 0.55926145E+01 0.14621615E+01
|
||
|
-0.26940784E+01 -0.68126442E+01 -0.10832040E+02 -0.14693784E+02 -0.18343385E+02
|
||
|
-0.21731212E+02 -0.24813265E+02 -0.27551810E+02 -0.29915890E+02 -0.31881687E+02
|
||
|
-0.33432745E+02 -0.34560042E+02 -0.35261921E+02 -0.35543883E+02 -0.35418250E+02
|
||
|
-0.34903701E+02 -0.34024708E+02 -0.32810875E+02 -0.31296202E+02 -0.29518284E+02
|
||
|
-0.27517475E+02 -0.25336023E+02 -0.23017206E+02 -0.20604474E+02 -0.18140627E+02
|
||
|
-0.15667040E+02 -0.13222940E+02 -0.10844769E+02 -0.85656218E+01 -0.64147795E+01
|
||
|
-0.44173444E+01 -0.25939733E+01 -0.96071838E+00 0.47103027E+00 0.16945017E+01
|
||
|
0.27074059E+01 0.35117088E+01 0.41133277E+01 0.45217586E+01 0.47496468E+01
|
||
|
0.48123123E+01 0.47272436E+01 0.45135725E+01 0.41915427E+01 0.37819847E+01
|
||
|
0.33058090E+01 0.27835279E+01 0.22348163E+01 0.16781186E+01 0.11303095E+01
|
||
|
0.60641387E+00 0.11938811E+00 -0.32003390E+00 -0.70343094E+00 -0.10247216E+01
|
||
|
-0.12801319E+01 -0.14681068E+01 -0.15891721E+01 -0.16457518E+01 -0.16419501E+01
|
||
|
-0.15833035E+01 -0.14765126E+01 -0.13291617E+01 -0.11494340E+01 -0.94582973E+00
|
||
|
-0.72689608E+00 -0.50097346E+00 -0.27596565E+00 -0.59137820E-01 0.14305357E+00
|
||
|
0.32509605E+00 0.48252017E+00 0.61196141E+00 0.71118575E+00 0.77908011E+00
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.23481521E+01 -0.46879705E+01 -0.70111480E+01 -0.93094302E+01
|
||
|
-0.11574643E+02 -0.13798716E+02 -0.15973715E+02 -0.18091862E+02 -0.20145564E+02
|
||
|
-0.22127442E+02 -0.24030353E+02 -0.25847419E+02 -0.27572051E+02 -0.29197977E+02
|
||
|
-0.30719264E+02 -0.32130346E+02 -0.33426049E+02 -0.34601609E+02 -0.35652704E+02
|
||
|
-0.36575468E+02 -0.37366517E+02 -0.38022970E+02 -0.38542465E+02 -0.38923177E+02
|
||
|
-0.39163838E+02 -0.39263746E+02 -0.39222781E+02 -0.39041415E+02 -0.38720720E+02
|
||
|
-0.38262372E+02 -0.37668658E+02 -0.36942474E+02 -0.36087325E+02 -0.35107316E+02
|
||
|
-0.34007148E+02 -0.32792105E+02 -0.31468037E+02 -0.30041345E+02 -0.28518959E+02
|
||
|
-0.26908310E+02 -0.25217302E+02 -0.23454284E+02 -0.21628007E+02 -0.19747590E+02
|
||
|
-0.17822477E+02 -0.15862386E+02 -0.13877266E+02 -0.11877241E+02 -0.98725546E+01
|
||
|
-0.78735152E+01 -0.58904327E+01 -0.39335573E+01 -0.20130157E+01 -0.13874487E+00
|
||
|
0.16795748E+01 0.34325873E+01 0.51113291E+01 0.67072975E+01 0.82125190E+01
|
||
|
0.96196157E+01 0.10921872E+02 0.12113299E+02 0.13188696E+02 0.14143711E+02
|
||
|
0.14974897E+02 0.15679764E+02 0.16256831E+02 0.16705669E+02 0.17026942E+02
|
||
|
0.17222440E+02 0.17295115E+02 0.17249094E+02 0.17089709E+02 0.16823526E+02
|
||
|
0.16458469E+02 0.15994416E+02 0.15404838E+02 0.14695679E+02 0.13878662E+02
|
||
|
0.12966609E+02 0.11973344E+02 0.10913671E+02 0.98033672E+01 0.86591188E+01
|
||
|
0.74984802E+01 0.63397952E+01 0.52021201E+01 0.41051039E+01 0.30688957E+01
|
||
|
0.21139880E+01 0.12611129E+01 0.53110159E+00 -0.55285206E-01 -0.47748725E+00
|
||
|
-0.71486424E+00 -0.74722240E+00 -0.56791008E+00 -0.82317107E-01 0.10513400E-14
|
||
|
Non local Part
|
||
|
2 2 1.61767766116753
|
||
|
2.58182749120183 4.06026420389917 4.06026420389917
|
||
|
6.30544270063314
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 -0.15775250E-01 -0.50540321E-01 -0.67324655E-01 -0.68539207E-02
|
||
|
0.20903326E+00 0.67279463E+00 0.14856042E+01 0.27510086E+01 0.45680783E+01
|
||
|
0.70243375E+01 0.10188768E+02 0.14105190E+02 0.18786302E+02 0.24208672E+02
|
||
|
0.30308898E+02 0.36981172E+02 0.44076383E+02 0.51402886E+02 0.58728974E+02
|
||
|
0.65787055E+02 0.72279447E+02 0.77885682E+02 0.82271111E+02 0.85096591E+02
|
||
|
0.86028947E+02 0.84751927E+02 0.80977270E+02 0.74455548E+02 0.64986428E+02
|
||
|
0.52427980E+02 0.36704717E+02 0.17814062E+02 -0.41690249E+01 -0.29089452E+02
|
||
|
-0.56711595E+02 -0.86721172E+02 -0.11872941E+03 -0.15227943E+03 -0.18685480E+03
|
||
|
-0.22188995E+03 -0.25678232E+03 -0.29090584E+03 -0.32362545E+03 -0.35431228E+03
|
||
|
-0.38235897E+03 -0.40719489E+03 -0.42830063E+03 -0.44522155E+03 -0.45757980E+03
|
||
|
-0.46508462E+03 -0.46754055E+03 -0.46485326E+03 -0.45703296E+03 -0.44419509E+03
|
||
|
-0.42655840E+03 -0.40444039E+03 -0.37825021E+03 -0.34847928E+03 -0.31568977E+03
|
||
|
-0.28050134E+03 -0.24357643E+03 -0.20560452E+03 -0.16728582E+03 -0.12931478E+03
|
||
|
-0.92363841E+02 -0.57067978E+02 -0.24010284E+02 0.62909074E+01 0.33393085E+02
|
||
|
0.56938515E+02 0.76660882E+02 0.92389462E+02 0.10405075E+03 0.11166754E+03
|
||
|
0.11535552E+03 0.11531753E+03 0.11183568E+03 0.10526153E+03 0.96004770E+02
|
||
|
0.84520587E+02 0.71296214E+02 0.56836999E+02 0.41652397E+02 0.26242291E+02
|
||
|
0.11084005E+02 -0.33796390E+01 -0.16750914E+02 -0.28686165E+02 -0.38902963E+02
|
||
|
-0.47185278E+02 -0.53386592E+02 -0.57430912E+02 -0.59311725E+02 -0.59088982E+02
|
||
|
-0.56884270E+02 -0.52874365E+02 -0.47283405E+02 -0.40373973E+02 -0.32437368E+02
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.12539822E+01 -0.50065221E+01 -0.11229452E+02 -0.19875997E+02
|
||
|
-0.30881036E+02 -0.44161461E+02 -0.59616642E+02 -0.77128998E+02 -0.96564664E+02
|
||
|
-0.11777426E+03 -0.14059378E+03 -0.16484554E+03 -0.19033927E+03 -0.21687326E+03
|
||
|
-0.24423563E+03 -0.27220571E+03 -0.30055539E+03 -0.32905074E+03 -0.35745352E+03
|
||
|
-0.38552288E+03 -0.41301706E+03 -0.43969519E+03 -0.46531907E+03 -0.48965503E+03
|
||
|
-0.51247583E+03 -0.53356248E+03 -0.55270616E+03 -0.56971005E+03 -0.58439113E+03
|
||
|
-0.59658199E+03 -0.60613250E+03 -0.61291141E+03 -0.61680789E+03 -0.61773289E+03
|
||
|
-0.61562043E+03 -0.61042866E+03 -0.60214080E+03 -0.59076587E+03 -0.57633922E+03
|
||
|
-0.55892284E+03 -0.53860541E+03 -0.51550216E+03 -0.48975440E+03 -0.46152883E+03
|
||
|
-0.43101657E+03 -0.39843190E+03 -0.36401069E+03 -0.32800863E+03 -0.29069910E+03
|
||
|
-0.25237077E+03 -0.21332502E+03 -0.17387298E+03 -0.13433243E+03 -0.95024431E+02
|
||
|
-0.56269783E+02 -0.18385260E+02 0.18320273E+02 0.53549870E+02 0.87022610E+02
|
||
|
0.11847777E+03 0.14767901E+03 0.17441854E+03 0.19852123E+03 0.21984865E+03
|
||
|
0.23830295E+03 0.25383051E+03 0.26642549E+03 0.27613297E+03 0.28305190E+03
|
||
|
0.28733761E+03 0.28920399E+03 0.28892523E+03 0.28683723E+03 0.28334187E+03
|
||
|
0.27892341E+03 0.27286518E+03 0.26074642E+03 0.24248304E+03 0.21869572E+03
|
||
|
0.19007688E+03 0.15738259E+03 0.12143532E+03 0.83128183E+02 0.43422052E+02
|
||
|
0.33447559E+01 -0.36013886E+02 -0.73508524E+02 -0.10794924E+03 -0.13811031E+03
|
||
|
-0.16274684E+03 -0.18060466E+03 -0.19043554E+03 -0.19101493E+03 -0.18115436E+03
|
||
|
-0.15966859E+03 -0.12543200E+03 -0.78869968E+02 -0.10379007E+02 0.13799065E-12
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.28463628E-01 0.10370823E+00 0.19585958E+00 0.25698694E+00
|
||
|
0.22381490E+00 0.21367710E-01 -0.43259992E+00 -0.12225638E+01 -0.24297877E+01
|
||
|
-0.41267016E+01 -0.63713335E+01 -0.92020347E+01 -0.12632726E+02 -0.16648884E+02
|
||
|
-0.21204460E+02 -0.26219892E+02 -0.31581347E+02 -0.37141262E+02 -0.42720247E+02
|
||
|
-0.48110322E+02 -0.53079444E+02 -0.57377224E+02 -0.60741683E+02 -0.62906851E+02
|
||
|
-0.63611010E+02 -0.62605307E+02 -0.59662482E+02 -0.54585419E+02 -0.47215247E+02
|
||
|
-0.37438695E+02 -0.25194465E+02 -0.10478354E+02 0.66530519E+01 0.26080289E+02
|
||
|
0.47620648E+02 0.71029604E+02 0.96004033E+02 0.12218721E+03 0.14917547E+03
|
||
|
0.17652637E+03 0.20376820E+03 0.23041059E+03 0.25595586E+03 0.27991096E+03
|
||
|
0.30179954E+03 0.32117384E+03 0.33762618E+03 0.35079953E+03 0.36039704E+03
|
||
|
0.36619012E+03 0.36802492E+03 0.36582695E+03 0.35960376E+03 0.34944555E+03
|
||
|
0.33552361E+03 0.31808684E+03 0.29745615E+03 0.27401711E+03 0.24821093E+03
|
||
|
0.22052401E+03 0.19147644E+03 0.16160962E+03 0.13147344E+03 0.10161330E+03
|
||
|
0.72557406E+02 0.44804548E+02 0.18812802E+02 -0.50106100E+01 -0.26318014E+02
|
||
|
-0.44828338E+02 -0.60332338E+02 -0.72695885E+02 -0.81861254E+02 -0.87846409E+02
|
||
|
-0.90742339E+02 -0.90708540E+02 -0.87966822E+02 -0.82793617E+02 -0.75511054E+02
|
||
|
-0.66477047E+02 -0.56074719E+02 -0.44701444E+02 -0.32757837E+02 -0.20637000E+02
|
||
|
-0.87143028E+01 0.26620043E+01 0.13179126E+02 0.22566780E+02 0.30602831E+02
|
||
|
0.37117355E+02 0.41995095E+02 0.45176260E+02 0.46655700E+02 0.46480545E+02
|
||
|
0.44746404E+02 0.41592298E+02 0.37194506E+02 0.31759550E+02 0.25516547E+02
|
||
|
Real Space Part
|
||
|
0.00000000E+00 0.98872253E+00 0.39474832E+01 0.88541020E+01 0.15671748E+02
|
||
|
0.24349141E+02 0.34820841E+02 0.47007606E+02 0.60816846E+02 0.76143148E+02
|
||
|
0.92868879E+02 0.11086488E+03 0.12999122E+03 0.15009806E+03 0.17102653E+03
|
||
|
0.19260978E+03 0.21467398E+03 0.23703948E+03 0.25952200E+03 0.28193388E+03
|
||
|
0.30408539E+03 0.32578608E+03 0.34684616E+03 0.36707795E+03 0.38629733E+03
|
||
|
0.40432522E+03 0.42098902E+03 0.43612413E+03 0.44957537E+03 0.46119846E+03
|
||
|
0.47086133E+03 0.47844556E+03 0.48384755E+03 0.48697978E+03 0.48777188E+03
|
||
|
0.48617162E+03 0.48214577E+03 0.47568084E+03 0.46678363E+03 0.45548169E+03
|
||
|
0.44182354E+03 0.42587871E+03 0.40773764E+03 0.38751131E+03 0.36533070E+03
|
||
|
0.34134604E+03 0.31572578E+03 0.28865540E+03 0.26033601E+03 0.23098265E+03
|
||
|
0.20082242E+03 0.17009247E+03 0.13903761E+03 0.10790797E+03 0.76956244E+02
|
||
|
0.46434963E+02 0.16593522E+02 -0.12324878E+02 -0.40086391E+02 -0.66469755E+02
|
||
|
-0.91269577E+02 -0.11429962E+03 -0.13539611E+03 -0.15442094E+03 -0.17126487E+03
|
||
|
-0.18585056E+03 -0.19813549E+03 -0.20811471E+03 -0.21582335E+03 -0.22133891E+03
|
||
|
-0.22478325E+03 -0.22632434E+03 -0.22617758E+03 -0.22460696E+03 -0.22192838E+03
|
||
|
-0.21852259E+03 -0.21382564E+03 -0.20435954E+03 -0.19005762E+03 -0.17140770E+03
|
||
|
-0.14895408E+03 -0.12329121E+03 -0.95065846E+02 -0.64980400E+02 -0.33790661E+02
|
||
|
-0.23051607E+01 0.28618722E+02 0.58079847E+02 0.85141939E+02 0.10884048E+03
|
||
|
0.12819582E+03 0.14222091E+03 0.14993337E+03 0.15036934E+03 0.14259335E+03
|
||
|
0.12567241E+03 0.98720367E+02 0.62071692E+02 0.81682466E+01 -0.11022703E-12
|
||
|
PAW radial sets
|
||
|
359 1.32172967991945
|
||
|
(5E20.12)
|
||
|
augmentation charges (non sperical)
|
||
|
-0.741665366883E-01 -0.175603187747E+00 -0.209674204401E+00 -0.186901584240E+00 -0.123201337570E+00
|
||
|
-0.165771689515E+00 -0.175603187747E+00 -0.413395102797E+00 -0.411971426664E+00 -0.363546936279E+00
|
||
|
-0.241260366644E+00 -0.324803709845E+00 -0.209674204401E+00 -0.411971426664E+00 0.670790740477E+00
|
||
|
0.626945256009E+00 0.323803804519E+00 0.449726464190E+00 -0.186901584240E+00 -0.363546936279E+00
|
||
|
0.626945256009E+00 0.585923265410E+00 0.306089472816E+00 0.424766150089E+00 -0.123201337570E+00
|
||
|
-0.241260366644E+00 0.323803804519E+00 0.306089472816E+00 0.162827505593E+00 0.226989397972E+00
|
||
|
-0.165771689515E+00 -0.324803709845E+00 0.449726464190E+00 0.424766150089E+00 0.226989397972E+00
|
||
|
0.316034082350E+00
|
||
|
uccopancies in atom
|
||
|
0.200000000638E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.200000000391E+01
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.200000004396E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00
|
||
|
grid
|
||
|
0.650041946156E-04 0.671179688588E-04 0.693004777673E-04 0.715539564207E-04 0.738807125782E-04
|
||
|
0.762831290414E-04 0.787636660947E-04 0.813248640248E-04 0.839693457222E-04 0.866998193672E-04
|
||
|
0.895190812034E-04 0.924300184013E-04 0.954356120151E-04 0.985389400351E-04 0.101743180540E-03
|
||
|
0.105051614953E-03 0.108467631400E-03 0.111994728179E-03 0.115636517347E-03 0.119396728413E-03
|
||
|
0.123279212163E-03 0.127287944599E-03 0.131427031012E-03 0.135700710191E-03 0.140113358754E-03
|
||
|
0.144669495641E-03 0.149373786733E-03 0.154231049635E-03 0.159246258610E-03 0.164424549669E-03
|
||
|
0.169771225835E-03 0.175291762572E-03 0.180991813391E-03 0.186877215643E-03 0.192953996495E-03
|
||
|
0.199228379099E-03 0.205706788973E-03 0.212395860575E-03 0.219302444098E-03 0.226433612488E-03
|
||
|
0.233796668683E-03 0.241399153097E-03 0.249248851339E-03 0.257353802184E-03 0.265722305812E-03
|
||
|
0.274362932301E-03 0.283284530408E-03 0.292496236628E-03 0.302007484554E-03 0.311828014536E-03
|
||
|
0.321967883653E-03 0.332437476017E-03 0.343247513407E-03 0.354409066246E-03 0.365933564937E-03
|
||
|
0.377832811577E-03 0.390118992031E-03 0.402804688424E-03 0.415902892017E-03 0.429427016515E-03
|
||
|
0.443390911803E-03 0.457808878129E-03 0.472695680753E-03 0.488066565059E-03 0.503937272178E-03
|
||
|
0.520324055099E-03 0.537243695321E-03 0.554713520034E-03 0.572751419865E-03 0.591375867199E-03
|
||
|
0.610605935097E-03 0.630461316831E-03 0.650962346046E-03 0.672130017587E-03 0.693986009000E-03
|
||
|
0.716552702729E-03 0.739853209041E-03 0.763911389691E-03 0.788751882358E-03 0.814400125877E-03
|
||
|
0.840882386291E-03 0.868225783748E-03 0.896458320277E-03 0.925608908463E-03 0.955707401054E-03
|
||
|
0.986784621538E-03 0.101887239570E-02 0.105200358424E-02 0.108621211637E-02 0.112153302462E-02
|
||
|
0.115800248070E-02 0.119565783251E-02 0.123453764242E-02 0.127468172676E-02 0.131613119657E-02
|
||
|
0.135892849974E-02 0.140311746444E-02 0.144874334403E-02 0.149585286341E-02 0.154449426683E-02
|
||
|
0.159471736735E-02 0.164657359780E-02 0.170011606350E-02 0.175539959661E-02 0.181248081231E-02
|
||
|
0.187141816674E-02 0.193227201690E-02 0.199510468246E-02 0.205998050956E-02 0.212696593671E-02
|
||
|
0.219612956284E-02 0.226754221755E-02 0.234127703364E-02 0.241740952200E-02 0.249601764896E-02
|
||
|
0.257718191610E-02 0.266098544273E-02 0.274751405098E-02 0.283685635371E-02 0.292910384524E-02
|
||
|
0.302435099507E-02 0.312269534459E-02 0.322423760703E-02 0.332908177052E-02 0.343733520465E-02
|
||
|
0.354910877040E-02 0.366451693367E-02 0.378367788251E-02 0.390671364812E-02 0.403375022990E-02
|
||
|
0.416491772440E-02 0.430035045860E-02 0.444018712745E-02 0.458457093593E-02 0.473364974566E-02
|
||
|
0.488757622637E-02 0.504650801224E-02 0.521060786330E-02 0.538004383214E-02 0.555498943599E-02
|
||
|
0.573562383445E-02 0.592213201291E-02 0.611470497206E-02 0.631353992343E-02 0.651884049138E-02
|
||
|
0.673081692165E-02 0.694968629660E-02 0.717567275762E-02 0.740900773459E-02 0.764993018290E-02
|
||
|
0.789868682821E-02 0.815553241905E-02 0.842072998775E-02 0.869455111980E-02 0.897727623196E-02
|
||
|
0.926919485946E-02 0.957060595248E-02 0.988181818231E-02 0.102031502575E-01 0.105349312501E-01
|
||
|
0.108775009329E-01 0.112312101272E-01 0.115964210621E-01 0.119735077455E-01 0.123628563471E-01
|
||
|
0.127648655940E-01 0.131799471787E-01 0.136085261810E-01 0.140510415033E-01 0.145079463199E-01
|
||
|
0.149797085413E-01 0.154668112933E-01 0.159697534116E-01 0.164890499528E-01 0.170252327222E-01
|
||
|
0.175788508175E-01 0.181504711922E-01 0.187406792355E-01 0.193500793720E-01 0.199792956806E-01
|
||
|
0.206289725339E-01 0.212997752577E-01 0.219923908127E-01 0.227075284976E-01 0.234459206760E-01
|
||
|
0.242083235259E-01 0.249955178146E-01 0.258083096977E-01 0.266475315453E-01 0.275140427937E-01
|
||
|
0.284087308262E-01 0.293325118815E-01 0.302863319922E-01 0.312711679535E-01 0.322880283233E-01
|
||
|
0.333379544556E-01 0.344220215665E-01 0.355413398354E-01 0.366970555420E-01 0.378903522403E-01
|
||
|
0.391224519703E-01 0.403946165097E-01 0.417081486664E-01 0.430643936119E-01 0.444647402597E-01
|
||
|
0.459106226869E-01 0.474035216037E-01 0.489449658690E-01 0.505365340563E-01 0.521798560705E-01
|
||
|
0.538766148171E-01 0.556285479253E-01 0.574374495276E-01 0.593051720973E-01 0.612336283456E-01
|
||
|
0.632247931801E-01 0.652807057278E-01 0.674034714226E-01 0.695952641622E-01 0.718583285338E-01
|
||
|
0.741949821131E-01 0.766076178376E-01 0.790987064570E-01 0.816707990639E-01 0.843265297057E-01
|
||
|
0.870686180828E-01 0.898998723332E-01 0.928231919087E-01 0.958415705441E-01 0.989580993227E-01
|
||
|
0.102175969842E+00 0.105498477484E+00 0.108929024785E+00 0.112471124926E+00 0.116128405328E+00
|
||
|
0.119904611364E+00 0.123803610200E+00 0.127829394752E+00 0.131986087774E+00 0.136277946083E+00
|
||
|
0.140709364918E+00 0.145284882438E+00 0.150009184374E+00 0.154887108822E+00 0.159923651205E+00
|
||
|
0.165123969381E+00 0.170493388932E+00 0.176037408611E+00 0.181761705979E+00 0.187672143218E+00
|
||
|
0.193774773131E+00 0.200075845344E+00 0.206581812706E+00 0.213299337897E+00 0.220235300248E+00
|
||
|
0.227396802793E+00 0.234791179534E+00 0.242426002960E+00 0.250309091797E+00 0.258448519018E+00
|
||
|
0.266852620106E+00 0.275530001596E+00 0.284489549885E+00 0.293740440332E+00 0.303292146659E+00
|
||
|
0.313154450647E+00 0.323337452157E+00 0.333851579473E+00 0.344707599980E+00 0.355916631191E+00
|
||
|
0.367490152134E+00 0.379440015105E+00 0.391778457809E+00 0.404518115890E+00 0.417672035869E+00
|
||
|
0.431253688511E+00 0.445276982615E+00 0.459756279260E+00 0.474706406510E+00 0.490142674602E+00
|
||
|
0.506080891623E+00 0.522537379701E+00 0.539528991718E+00 0.557073128569E+00 0.575187756982E+00
|
||
|
0.593891427921E+00 0.613203295579E+00 0.633143136996E+00 0.653731372313E+00 0.674989085680E+00
|
||
|
0.696938046854E+00 0.719600733490E+00 0.743000354159E+00 0.767160872117E+00 0.792107029846E+00
|
||
|
0.817864374391E+00 0.844459283525E+00 0.871918992757E+00 0.900271623229E+00 0.929546210514E+00
|
||
|
0.959772734345E+00 0.990982149326E+00 0.102320641662E+01 0.105647853670E+01 0.109083258313E+01
|
||
|
0.112630373744E+01 0.116292832519E+01 0.120074385318E+01 0.123978904779E+01 0.128010389473E+01
|
||
|
0.132172967992E+01 0.136470903180E+01 0.140908596498E+01 0.145490592532E+01 0.150221583647E+01
|
||
|
0.155106414790E+01 0.160150088456E+01 0.165357769807E+01 0.170734791963E+01 0.176286661467E+01
|
||
|
0.182019063916E+01 0.187937869793E+01 0.194049140471E+01 0.200359134426E+01 0.206874313642E+01
|
||
|
0.213601350234E+01 0.220547133273E+01 0.227718775849E+01 0.235123622351E+01 0.242769255988E+01
|
||
|
0.250663506558E+01 0.258814458462E+01 0.267230458988E+01 0.275920126856E+01 0.284892361045E+01
|
||
|
0.294156349906E+01 0.303721580575E+01 0.313597848683E+01 0.323795268391E+01 0.334324282749E+01
|
||
|
0.345195674386E+01 0.356420576560E+01 0.368010484549E+01 0.379977267432E+01 0.392333180242E+01
|
||
|
0.405090876512E+01 0.418263421238E+01 0.431864304257E+01 0.445907454062E+01 0.460407252065E+01
|
||
|
0.475378547326E+01 0.490836671761E+01 0.506797455839E+01 0.523277244798E+01 0.540292915381E+01
|
||
|
0.557861893124E+01 0.576002170193E+01 0.594732323818E+01 0.614071535313E+01
|
||
|
aepotential
|
||
|
0.101287245184E+05 0.101990024019E+05 0.102623505628E+05 0.103181994566E+05 0.103660016150E+05
|
||
|
0.104052369671E+05 0.104354196210E+05 0.104561042925E+05 0.104668922609E+05 0.104674372246E+05
|
||
|
0.104574508535E+05 0.104367075855E+05 0.104050485080E+05 0.103623853110E+05 0.103087019714E+05
|
||
|
0.102440570953E+05 0.101685838503E+05 0.100824897277E+05 0.998605478543E+04 0.987962918266E+04
|
||
|
0.976362922350E+04 0.963853325654E+04 0.950487567261E+04 0.936324110658E+04 0.921425746619E+04
|
||
|
0.905858862537E+04 0.889692685446E+04 0.872998485634E+04 0.855848802956E+04 0.838316666123E+04
|
||
|
0.820474834108E+04 0.802395095196E+04 0.784147599814E+04 0.765800233057E+04 0.747418108906E+04
|
||
|
0.729063069768E+04 0.710793308768E+04 0.692663038600E+04 0.674722252958E+04 0.657016563797E+04
|
||
|
0.639587088061E+04 0.622470427455E+04 0.605698691423E+04 0.589299577500E+04 0.573296506370E+04
|
||
|
0.557708786022E+04 0.542551820215E+04 0.527837335509E+04 0.513573632591E+04 0.499765849405E+04
|
||
|
0.486416232806E+04 0.473524412876E+04 0.461087675568E+04 0.449101229853E+04 0.437558466085E+04
|
||
|
0.426451202986E+04 0.415769921246E+04 0.405503982223E+04 0.395641830731E+04 0.386171181371E+04
|
||
|
0.377079188149E+04 0.368352597553E+04 0.359977885414E+04 0.351941378141E+04 0.344229359122E+04
|
||
|
0.336828161079E+04 0.329724245453E+04 0.322904269584E+04 0.316355143097E+04 0.310064073966E+04
|
||
|
0.304018605884E+04 0.298206647350E+04 0.292616493682E+04 0.287236842938E+04 0.282056806004E+04
|
||
|
0.277065912377E+04 0.272254111728E+04 0.267611771891E+04 0.263129674231E+04 0.258799006903E+04
|
||
|
0.254611355287E+04 0.250558691610E+04 0.246633364240E+04 0.242828083228E+04 0.239135908919E+04
|
||
|
0.235550237319E+04 0.232064786723E+04 0.228673583220E+04 0.225370947796E+04 0.222151481819E+04
|
||
|
0.219010054220E+04 0.215941788054E+04 0.212942048075E+04 0.210006428679E+04 0.207130741686E+04
|
||
|
0.204311005513E+04 0.201543434247E+04 0.198824427531E+04 0.196150560656E+04 0.193518575577E+04
|
||
|
0.190925372146E+04 0.188367999966E+04 0.185843650610E+04 0.183349650663E+04 0.180883454689E+04
|
||
|
0.178442639255E+04 0.176024896962E+04 0.173628031048E+04 0.171249950510E+04 0.168888665513E+04
|
||
|
0.166542283179E+04 0.164209003885E+04 0.161887117784E+04 0.159575001821E+04 0.157271117046E+04
|
||
|
0.154974006225E+04 0.152682291912E+04 0.150394674791E+04 0.148109932326E+04 0.145826917855E+04
|
||
|
0.143544559917E+04 0.141261861987E+04 0.138977902549E+04 0.136691835500E+04 0.134402890977E+04
|
||
|
0.132110376503E+04 0.129813678574E+04 0.127512264630E+04 0.125205685481E+04 0.122893578153E+04
|
||
|
0.120575669246E+04 0.118251778727E+04 0.115921824291E+04 0.113585826207E+04 0.111243912706E+04
|
||
|
0.108896325895E+04 0.106543428187E+04 0.104185709182E+04 0.101823792963E+04 0.994584456551E+03
|
||
|
0.970905831237E+03 0.947212785509E+03 0.923517696013E+03 0.899834647504E+03 0.876179482867E+03
|
||
|
0.852569833098E+03 0.829025119954E+03 0.805566522296E+03 0.782216896685E+03 0.759000642764E+03
|
||
|
0.735943505051E+03 0.713072306201E+03 0.690414612700E+03 0.667998344182E+03 0.645851352685E+03
|
||
|
0.624001019313E+03 0.602473943402E+03 0.581295831325E+03 0.560491725378E+03 0.540086737975E+03
|
||
|
0.520107459108E+03 0.500584163233E+03 0.481553830204E+03 0.463063790012E+03 0.445175497672E+03
|
||
|
0.427967578778E+03 0.411536955848E+03 0.395996733349E+03 0.381469793241E+03 0.368077843637E+03
|
||
|
0.355926755308E+03 0.345090737979E+03 0.335598240435E+03 0.327422899768E+03 0.320481493649E+03
|
||
|
0.314639159528E+03 0.309720458049E+03 0.305523907944E+03 0.301837528596E+03 0.298453356415E+03
|
||
|
0.295179429994E+03 0.291848242021E+03 0.288321257399E+03 0.284489800827E+03 0.280273212888E+03
|
||
|
0.275615411527E+03 0.270480854834E+03 0.264850576232E+03 0.258718663077E+03 0.252089332093E+03
|
||
|
0.244974651229E+03 0.237392880566E+03 0.229367367628E+03 0.220925909456E+03 0.212100471316E+03
|
||
|
0.202927160458E+03 0.193446342834E+03 0.183702806751E+03 0.173745873519E+03 0.163629379850E+03
|
||
|
0.153411470557E+03 0.143154211623E+03 0.132923118952E+03 0.122786841881E+03 0.112817387782E+03
|
||
|
0.103091343362E+03 0.936923856949E+02 0.847147892350E+02 0.762665386387E+02 0.684693440124E+02
|
||
|
0.614521593113E+02 0.553357892816E+02 0.502092794449E+02 0.461028575449E+02 0.429654976475E+02
|
||
|
0.406568715980E+02 0.389626794625E+02 0.376346040771E+02 0.364398669881E+02 0.351953115611E+02
|
||
|
0.337723138662E+02 0.320817721436E+02 0.300577386948E+02 0.276497952639E+02 0.248226890145E+02
|
||
|
0.215576325129E+02 0.178518242105E+02 0.137160170683E+02 0.917146951883E+01 0.424745928066E+01
|
||
|
-0.102014235569E+01 -0.658930379702E+01 -0.124116206404E+02 -0.184319104872E+02 -0.245881502184E+02
|
||
|
-0.308122922339E+02 -0.370323731726E+02 -0.431757620275E+02 -0.491721326576E+02 -0.549527876805E+02
|
||
|
-0.604414145145E+02 -0.655332440623E+02 -0.700688980861E+02 -0.738252780022E+02 -0.765565733811E+02
|
||
|
-0.781056000368E+02 -0.785545929808E+02 -0.782887206337E+02 -0.778233848642E+02 -0.775088002853E+02
|
||
|
-0.774317515887E+02 -0.775432366781E+02 -0.777936438127E+02 -0.781783190474E+02 -0.787259979924E+02
|
||
|
-0.794729186222E+02 -0.804438991692E+02 -0.816457604277E+02 -0.830696269586E+02 -0.846964371449E+02
|
||
|
-0.865019040826E+02 -0.884596770846E+02 -0.905428861883E+02 -0.927246595948E+02 -0.949781398409E+02
|
||
|
-0.972763377848E+02 -0.995920181919E+02 -0.101897710688E+03 -0.104165880114E+03 -0.106369241179E+03
|
||
|
-0.108481163214E+03 -0.110476109961E+03 -0.112330008148E+03 -0.114020634282E+03 -0.115528055107E+03
|
||
|
-0.116835371746E+03 -0.117929892368E+03 -0.118804607219E+03 -0.119459452664E+03 -0.119901637225E+03
|
||
|
-0.120144520380E+03 -0.120205256777E+03 -0.120101979523E+03 -0.119851502098E+03 -0.119468062519E+03
|
||
|
-0.118963063169E+03 -0.118345457557E+03 -0.117622358812E+03 -0.116799628355E+03 -0.115882359333E+03
|
||
|
-0.114875200542E+03 -0.113782590101E+03 -0.112608860056E+03 -0.111358289810E+03 -0.110035067036E+03
|
||
|
-0.108643234597E+03 -0.107186608982E+03 -0.105668738007E+03 -0.104092911578E+03 -0.102462261664E+03
|
||
|
-0.100779956495E+03 -0.990494651121E+02 -0.972748243533E+02 -0.954608445380E+02 -0.936130772992E+02
|
||
|
-0.917375242462E+02 -0.898399642361E+02 -0.879250077999E+02 -0.859951558274E+02 -0.840504222407E+02
|
||
|
-0.820891644980E+02 -0.801103216961E+02 -0.781162048959E+02 -0.761141159440E+02 -0.741155404622E+02
|
||
|
-0.721333942136E+02 -0.701791225809E+02 -0.682611566627E+02 -0.663848420557E+02 -0.645531802131E+02
|
||
|
-0.627678103972E+02 -0.610296224676E+02 -0.593391014416E+02 -0.576965056267E+02 -0.561018588623E+02
|
||
|
-0.545547600661E+02 -0.530542745394E+02 -0.515987475775E+02 -0.501857191395E+02 -0.488120159193E+02
|
||
|
-0.474739650485E+02 -0.461677620305E+02 -0.448898751455E+02 -0.436373986022E+02 -0.424082879894E+02
|
||
|
-0.412014510606E+02 -0.400167079948E+02 -0.388546557273E+02 -0.377164744096E+02 -0.366037074253E+02
|
||
|
-0.355180374616E+02 -0.344610745520E+02 -0.334341678242E+02 -0.324382715569E+02 -0.314738143341E+02
|
||
|
-0.305407121858E+02 -0.296383579218E+02 -0.287657155613E+02 -0.279214328483E+02 -0.271039704458E+02
|
||
|
-0.263117250062E+02 -0.255431313561E+02 -0.247967363104E+02 -0.240712432633E+02 -0.233655312987E+02
|
||
|
-0.226786548183E+02 -0.220098300736E+02 -0.213584142188E+02 -0.207238812300E+02
|
||
|
core charge-density
|
||
|
0.108810751825E+00 0.114868505436E+00 0.121261118006E+00 0.128006892831E+00 0.135125115007E+00
|
||
|
0.142636102418E+00 0.150561259219E+00 0.158923131922E+00 0.167745468200E+00 0.177053278520E+00
|
||
|
0.186872900728E+00 0.197232067703E+00 0.208159978204E+00 0.219687371042E+00 0.231846602703E+00
|
||
|
0.244671728548E+00 0.258198587745E+00 0.272464892042E+00 0.287510318539E+00 0.303376606586E+00
|
||
|
0.320107658962E+00 0.337749647449E+00 0.356351122967E+00 0.375963130387E+00 0.396639328175E+00
|
||
|
0.418436112981E+00 0.441412749318E+00 0.465631504448E+00 0.491157788591E+00 0.518060300570E+00
|
||
|
0.546411178993E+00 0.576286159063E+00 0.607764735087E+00 0.640930328761E+00 0.675870463263E+00
|
||
|
0.712676943190E+00 0.751446040348E+00 0.792278685360E+00 0.835280665073E+00 0.880562825655E+00
|
||
|
0.928241281296E+00 0.978437628349E+00 0.103127916471E+01 0.108689911423E+01 0.114543685579E+01
|
||
|
0.120703815679E+01 0.127185541053E+01 0.134004787710E+01 0.141178192705E+01 0.148723128744E+01
|
||
|
0.156657728925E+01 0.165000911554E+01 0.173772404923E+01 0.182992771958E+01 0.192683434603E+01
|
||
|
0.202866697819E+01 0.213565773042E+01 0.224804800934E+01 0.236608873254E+01 0.249004053634E+01
|
||
|
0.262017397062E+01 0.275676967801E+01 0.290011855513E+01 0.305052189270E+01 0.320829149166E+01
|
||
|
0.337374975167E+01 0.354722972856E+01 0.372907515649E+01 0.391964043082E+01 0.411929054683E+01
|
||
|
0.432840098961E+01 0.454735756962E+01 0.477655619842E+01 0.501640259855E+01 0.526731194109E+01
|
||
|
0.552970840438E+01 0.580402464642E+01 0.609070118386E+01 0.639018566934E+01 0.670293205914E+01
|
||
|
0.702939966261E+01 0.737005206419E+01 0.772535590921E+01 0.809577954367E+01 0.848179149846E+01
|
||
|
0.888385880823E+01 0.930244515482E+01 0.973800882542E+01 0.101910004755E+02 0.106618606866E+02
|
||
|
0.111510173105E+02 0.116588825885E+02 0.121858500409E+02 0.127322911153E+02 0.132985515897E+02
|
||
|
0.138849477241E+02 0.144917621556E+02 0.151192395363E+02 0.157675819122E+02 0.164369438456E+02
|
||
|
0.171274272859E+02 0.178390761951E+02 0.185718709414E+02 0.193257224725E+02 0.201004662915E+02
|
||
|
0.208958562566E+02 0.217115582346E+02 0.225471436444E+02 0.234020829307E+02 0.242757390155E+02
|
||
|
0.251673607855E+02 0.260760766756E+02 0.270008884224E+02 0.279406650669E+02 0.288941372968E+02
|
||
|
0.298598922261E+02 0.308363687223E+02 0.318218533976E+02 0.328144773939E+02 0.338122140977E+02
|
||
|
0.348128779329E+02 0.358141243858E+02 0.368134514263E+02 0.378082024938E+02 0.387955712235E+02
|
||
|
0.397726080907E+02 0.407362291522E+02 0.416832270633E+02 0.426102845420E+02 0.435139904474E+02
|
||
|
0.443908586245E+02 0.452373496513E+02 0.460498956036E+02 0.468249279256E+02 0.475589084590E+02
|
||
|
0.482483636468E+02 0.488899218783E+02 0.494803538910E+02 0.500166160812E+02 0.504958965080E+02
|
||
|
0.509156632996E+02 0.512737150869E+02 0.515682330000E+02 0.517978336674E+02 0.519616225591E+02
|
||
|
0.520592469067E+02 0.520909473345E+02 0.520576072233E+02 0.519607987322E+02 0.518028243036E+02
|
||
|
0.515867523899E+02 0.513164460662E+02 0.509965831343E+02 0.506326662856E+02 0.502310218811E+02
|
||
|
0.497987859230E+02 0.493438758483E+02 0.488749468666E+02 0.484013317043E+02 0.479329627997E+02
|
||
|
0.474802762318E+02 0.470540969554E+02 0.466655052559E+02 0.463256847377E+02 0.460457526073E+02
|
||
|
0.458365735133E+02 0.457085587462E+02 0.456714531880E+02 0.457341130015E+02 0.459042777388E+02
|
||
|
0.461883410150E+02 0.465911248252E+02 0.471156628390E+02 0.477629987446E+02 0.485320060667E+02
|
||
|
0.494192361979E+02 0.504188015329E+02 0.515223005703E+02 0.527187916160E+02 0.539948212642E+02
|
||
|
0.553345131266E+02 0.567197213105E+02 0.581302519031E+02 0.595441542112E+02 0.609380817299E+02
|
||
|
0.622877207943E+02 0.635682826293E+02 0.647550520822E+02 0.658239837780E+02 0.667523338236E+02
|
||
|
0.675193126093E+02 0.681067417928E+02 0.684996963294E+02 0.686871105337E+02 0.686623257563E+02
|
||
|
0.684235564728E+02 0.679742515113E+02 0.673233279487E+02 0.664852569445E+02 0.654799835807E+02
|
||
|
0.643326666373E+02 0.630732292075E+02 0.617357170546E+02 0.603574685526E+02 0.589781077348E+02
|
||
|
0.576383801624E+02 0.563788596792E+02 0.552385622898E+02 0.542535109555E+02 0.534553016679E+02
|
||
|
0.528697263586E+02 0.525155116718E+02 0.524032340780E+02 0.525344708321E+02 0.529012426183E+02
|
||
|
0.534857968089E+02 0.542607699564E+02 0.551897537565E+02 0.562282699135E+02 0.573251393407E+02
|
||
|
0.584242106387E+02 0.594663949815E+02 0.603919378197E+02 0.611428417629E+02 0.616653403936E+02
|
||
|
0.619123119713E+02 0.618455167725E+02 0.614375431890E+02 0.606733556035E+02 0.595513510647E+02
|
||
|
0.580838514494E+02 0.562969823552E+02 0.542299185531E+02 0.519335072820E+02 0.494683133817E+02
|
||
|
0.469021627567E+02 0.443072908202E+02 0.417572285635E+02 0.393235784753E+02 0.370728436458E+02
|
||
|
0.350634741063E+02 0.333432835598E+02 0.319473674573E+02 0.308966228081E+02 0.301969370846E+02
|
||
|
0.298390857825E+02 0.297993611935E+02 0.300409428589E+02 0.305159775262E+02 0.311682284964E+02
|
||
|
0.319360497223E+02 0.327554504851E+02 0.335630971568E+02 0.342991373310E+02 0.349097275267E+02
|
||
|
0.353491435448E+02 0.355813695677E+02 0.355810962451E+02 0.353341027256E+02 0.348370439583E+02
|
||
|
0.340967048928E+02 0.331288133627E+02 0.319565224895E+02 0.306086820181E+02 0.291180171799E+02
|
||
|
0.275193251119E+02 0.258477841567E+02 0.241374525512E+02 0.224200119051E+02 0.207237893188E+02
|
||
|
0.190730713253E+02 0.174877043215E+02 0.159829607875E+02 0.145696380707E+02 0.132543492295E+02
|
||
|
0.120399601016E+02 0.109261267393E+02 0.990988942554E+01 0.898628394208E+01 0.814893637375E+01
|
||
|
0.739061373222E+01 0.670370921018E+01 0.608064744127E+01 0.551420215944E+01 0.499772549947E+01
|
||
|
0.452529402748E+01 0.409178084016E+01 0.369286581929E+01 0.332499722119E+01 0.298531781807E+01
|
||
|
0.267156811696E+01 0.238197770513E+01 0.211515422710E+01 0.186997746405E+01 0.164550413615E+01
|
||
|
0.144088714763E+01 0.125531123048E+01 0.108794551881E+01 0.937912490336E+00 0.804271683579E+00
|
||
|
0.686016058631E+00 0.582078488172E+00 0.491345711014E+00 0.412677109812E+00 0.344925863842E+00
|
||
|
0.286960310333E+00 0.237683792691E+00 0.196051704723E+00 0.161084959850E+00 0.131879594709E+00
|
||
|
0.107612649544E+00 0.875447781062E-01 0.710201762340E-01 0.574643659043E-01 0.463802237034E-01
|
||
|
0.373425482741E-01 0.299914963256E-01 0.240253224209E-01 0.191929142635E-01 0.152866262830E-01
|
||
|
0.121353496115E-01 0.959875454532E-02 0.756197082431E-02 0.593110962250E-02 0.462949079627E-02
|
||
|
0.359450330533E-02 0.277501870352E-02 0.212927713484E-02 0.162316962192E-02 0.122884771887E-02
|
||
|
0.923599805508E-03 0.688941790679E-03 0.509878061970E-03 0.374296501439E-03 0.272468605467E-03
|
||
|
0.196632523332E-03 0.140642571740E-03 0.996733477934E-04 0.699698740473E-04 0.486373974755E-04
|
||
|
0.334657842634E-04 0.227841925678E-04 0.153421181390E-04 0.102131766552E-04 0.671822405958E-05
|
||
|
0.436467774384E-05 0.279919934942E-05 0.177123167272E-05 0.110522466507E-05 0.679723390558E-06
|
||
|
0.411806102003E-06 0.245643066740E-06 0.144191316635E-06 0.832466955081E-07 0.472450645641E-07
|
||
|
0.263434373904E-07 0.144236655543E-07 0.775034900029E-08 0.408467980305E-08
|
||
|
kinetic energy-density
|
||
|
0.214684010397E+07 0.213426655059E+07 0.212196522149E+07 0.210993844281E+07 0.209818857256E+07
|
||
|
0.208671799874E+07 0.207552915553E+07 0.206462452636E+07 0.205400665062E+07 0.204367813740E+07
|
||
|
0.203364167342E+07 0.202390002558E+07 0.201445606425E+07 0.200531275262E+07 0.199647317849E+07
|
||
|
0.198794054832E+07 0.197971820400E+07 0.197180963252E+07 0.196421847320E+07 0.195694852889E+07
|
||
|
0.195000377927E+07 0.194338838326E+07 0.193710669272E+07 0.193116326086E+07 0.192556284931E+07
|
||
|
0.192031043880E+07 0.191541123265E+07 0.191087066694E+07 0.190669441968E+07 0.190288841040E+07
|
||
|
0.189945881359E+07 0.189641206512E+07 0.189375485324E+07 0.189149414960E+07 0.188963718990E+07
|
||
|
0.188819149796E+07 0.188716487766E+07 0.188656542244E+07 0.188640152692E+07 0.188668188190E+07
|
||
|
0.188741548650E+07 0.188861165208E+07 0.189028000587E+07 0.189243050117E+07 0.189507341807E+07
|
||
|
0.189821937390E+07 0.190187932691E+07 0.190606458313E+07 0.191078680255E+07 0.191605800542E+07
|
||
|
0.192189057817E+07 0.192829727939E+07 0.193529124542E+07 0.194288599568E+07 0.195109543750E+07
|
||
|
0.195993387048E+07 0.196941599005E+07 0.197955689042E+07 0.199037206642E+07 0.200187741447E+07
|
||
|
0.201408923214E+07 0.202702421634E+07 0.204069946024E+07 0.205513244799E+07 0.207034104777E+07
|
||
|
0.208634350258E+07 0.210315841876E+07 0.212080475144E+07 0.213930178782E+07 0.215866912645E+07
|
||
|
0.217892665350E+07 0.220009451540E+07 0.222219308651E+07 0.224524293350E+07 0.226926477396E+07
|
||
|
0.229427942989E+07 0.232030777596E+07 0.234737068204E+07 0.237548894633E+07 0.240468322676E+07
|
||
|
0.243497396146E+07 0.246638127657E+07 0.249892490030E+07 0.253262404854E+07 0.256749731762E+07
|
||
|
0.260356255440E+07 0.264083672809E+07 0.267933577648E+07 0.271907445331E+07 0.276006615541E+07
|
||
|
0.280232274067E+07 0.284585433168E+07 0.289066910262E+07 0.293677305910E+07 0.298416979615E+07
|
||
|
0.303286024434E+07 0.308284240149E+07 0.313411104796E+07 0.318665744683E+07 0.324046902881E+07
|
||
|
0.329552906257E+07 0.335181631065E+07 0.340930467008E+07 0.346796280187E+07 0.352775374637E+07
|
||
|
0.358863452860E+07 0.365055575486E+07 0.371346120021E+07 0.377728739169E+07 0.384196318901E+07
|
||
|
0.390740936435E+07 0.397353818664E+07 0.404025301230E+07 0.410744788774E+07 0.417500716875E+07
|
||
|
0.424280516035E+07 0.431070578393E+07 0.437856227934E+07 0.444621694467E+07 0.451350092609E+07
|
||
|
0.458023406148E+07 0.464622478836E+07 0.471127012429E+07 0.477515572840E+07 0.483765605448E+07
|
||
|
0.489853460459E+07 0.495754429337E+07 0.501442793300E+07 0.506891884868E+07 0.512074163399E+07
|
||
|
0.516961305611E+07 0.521524311821E+07 0.525733628778E+07 0.529559289735E+07 0.532971072248E+07
|
||
|
0.535938674120E+07 0.538431907617E+07 0.540420911966E+07 0.541876383751E+07 0.542769824703E+07
|
||
|
0.543073805871E+07 0.542762246987E+07 0.541810709341E+07 0.540196700098E+07 0.537899985611E+07
|
||
|
0.534902910762E+07 0.531190720980E+07 0.526751883088E+07 0.521578400678E+07 0.515666119347E+07
|
||
|
0.509015016647E+07 0.501629471349E+07 0.493518506253E+07 0.484695998666E+07 0.475180852485E+07
|
||
|
0.464997125882E+07 0.454174108692E+07 0.442746343918E+07 0.430753588088E+07 0.418240705856E+07
|
||
|
0.405257494816E+07 0.391858437351E+07 0.378102377171E+07 0.364052119208E+07 0.349773952580E+07
|
||
|
0.335337097559E+07 0.320813078952E+07 0.306275030083E+07 0.291796933128E+07 0.277452808670E+07
|
||
|
0.263315855938E+07 0.249457571964E+07 0.235946854101E+07 0.222849107474E+07 0.210225372727E+07
|
||
|
0.198131489837E+07 0.186617312978E+07 0.175725990897E+07 0.165493327073E+07 0.155947233794E+07
|
||
|
0.147107293966E+07 0.138984443781E+07 0.131580788104E+07 0.124889558692E+07 0.118895222921E+07
|
||
|
0.113573747770E+07 0.108893020681E+07 0.104813424952E+07 0.101288564168E+07 0.982661258331E+06
|
||
|
0.956888711242E+06 0.934957339764E+06 0.916230094989E+06 0.900056085383E+06 0.885783530572E+06
|
||
|
0.872772841480E+06 0.860409535863E+06 0.848116680890E+06 0.835366554302E+06 0.821691216358E+06
|
||
|
0.806691697615E+06 0.790045525024E+06 0.771512343507E+06 0.750937425858E+06 0.728252918861E+06
|
||
|
0.703476734061E+06 0.676709055565E+06 0.648126515337E+06 0.617974155151E+06 0.586555369745E+06
|
||
|
0.554220104697E+06 0.521351666594E+06 0.488352593072E+06 0.455630110639E+06 0.423581758270E+06
|
||
|
0.392581753635E+06 0.362968615963E+06 0.335034505734E+06 0.309016597096E+06 0.285090731548E+06
|
||
|
0.263367533729E+06 0.243891109763E+06 0.226640378530E+06 0.211532977122E+06 0.198431553125E+06
|
||
|
0.187152128584E+06 0.177474109413E+06 0.169151428487E+06 0.161924259837E+06 0.155530727578E+06
|
||
|
0.149718051054E+06 0.144252620543E+06 0.138928567194E+06 0.133574489189E+06 0.128058095221E+06
|
||
|
0.122288641519E+06 0.116217151583E+06 0.109834522291E+06 0.103167732356E+06 0.962744739373E+05
|
||
|
0.892366131339E+05 0.821529291600E+05 0.751315657534E+05 0.682825621977E+05 0.617107795177E+05
|
||
|
0.555095677484E+05 0.497556215436E+05 0.445055125990E+05 0.397942018029E+05 0.356353166646E+05
|
||
|
0.320225581354E+05 0.289317993531E+05 0.263238273460E+05 0.241476863866E+05 0.223444143449E+05
|
||
|
0.208508840488E+05 0.196034771326E+05 0.185413614766E+05 0.176091935476E+05 0.167591264898E+05
|
||
|
0.159520727446E+05 0.151582370428E+05 0.143569928377E+05 0.135362161955E+05 0.126912147808E+05
|
||
|
0.118233964721E+05 0.109388150392E+05 0.100467140929E+05 0.915816444296E+04 0.828486834371E+04
|
||
|
0.743817251635E+04 0.662831219921E+04 0.586388635432E+04 0.515154862285E+04 0.449588762529E+04
|
||
|
0.389946251488E+04 0.336295706897E+04 0.288541611418E+04 0.246453154070E+04 0.209694973046E+04
|
||
|
0.177857796136E+04 0.150487046833E+04 0.127108207042E+04 0.107247914198E+04 0.904504610051E+03
|
||
|
0.762897305323E+03 0.643769693199E+03 0.543649910742E+03 0.459494943680E+03 0.388681650410E+03
|
||
|
0.328981943907E+03 0.278527499773E+03 0.235768714625E+03 0.199431524787E+03 0.168474892208E+03
|
||
|
0.142050950051E+03 0.119469220660E+03 0.100165323920E+03 0.836746273166E+02 0.696106009477E+02
|
||
|
0.576475407880E+02 0.475071535534E+02 0.389484360991E+02 0.317602548681E+02 0.257560712458E+02
|
||
|
0.207702705974E+02 0.166556411014E+02 0.132816048955E+02 0.105328833484E+02 0.830836255964E+01
|
||
|
0.652000828000E+01 0.509176376829E+01 0.395843726175E+01 0.306462238553E+01 0.236368381149E+01
|
||
|
0.181680227620E+01 0.139204715739E+01 0.106346062616E+01 0.810140100202E+00 0.615506090622E+00
|
||
|
0.466354978624E+00 0.352360089258E+00 0.265447611866E+00 0.199341015638E+00 0.149180771086E+00
|
||
|
0.111217091500E+00 0.825643843469E-01 0.610067917932E-01 0.448454478249E-01 0.327793719947E-01
|
||
|
0.238131621378E-01 0.171858680150E-01 0.123164111995E-01 0.876182093429E-02 0.618528434304E-02
|
||
|
0.433165004270E-02 0.300856855276E-02 0.207190272980E-02 0.141439705973E-02 0.956861777255E-03
|
||
|
0.641319958851E-03 0.425700361401E-03 0.279752724048E-03 0.181929470843E-03 0.117027476626E-03
|
||
|
0.744232452430E-04 0.467660291165E-04 0.290206877752E-04 0.177740875083E-04 0.107377391742E-04
|
||
|
0.639480058174E-05 0.375209204048E-05 0.216769348446E-05 0.123238864521E-05 0.689083348514E-06
|
||
|
0.378720776163E-06 0.204473839924E-06 0.108385945500E-06 0.563723392717E-07
|
||
|
mkinetic energy-density pseudized
|
||
|
0.232961467183E-05 0.248358449218E-05 0.264773054709E-05 0.282272540829E-05 0.300928609936E-05
|
||
|
0.320817703373E-05 0.342021314670E-05 0.364626323461E-05 0.388725351463E-05 0.414417141983E-05
|
||
|
0.441806964511E-05 0.471007046046E-05 0.502137030940E-05 0.535324471126E-05 0.570705348747E-05
|
||
|
0.608424633332E-05 0.648636875793E-05 0.691506841677E-05 0.737210186284E-05 0.785934174386E-05
|
||
|
0.837878447534E-05 0.893255842064E-05 0.952293261171E-05 0.101523260462E-04 0.108233175992E-04
|
||
|
0.115386565895E-04 0.123012740452E-04 0.131142947129E-04 0.139810498611E-04 0.149050909296E-04
|
||
|
0.158902040816E-04 0.169404257164E-04 0.180600590088E-04 0.192536915404E-04 0.205262140970E-04
|
||
|
0.218828407078E-04 0.233291300097E-04 0.248710080228E-04 0.265147924319E-04 0.282672184722E-04
|
||
|
0.301354665267E-04 0.321271915466E-04 0.342505544163E-04 0.365142553927E-04 0.389275697525E-04
|
||
|
0.415003857970E-04 0.442432453683E-04 0.471673870432E-04 0.502847921819E-04 0.536082340203E-04
|
||
|
0.571513300066E-04 0.609285975973E-04 0.649555137406E-04 0.692485782916E-04 0.738253816176E-04
|
||
|
0.787046766734E-04 0.839064558381E-04 0.894520328321E-04 0.953641300468E-04 0.101666971646E-03
|
||
|
0.108386382823E-03 0.115549895614E-03 0.123186861705E-03 0.131328572701E-03 0.140008388334E-03
|
||
|
0.149261873154E-03 0.159126942243E-03 0.169644016571E-03 0.180856188616E-03 0.192809398921E-03
|
||
|
0.205552624335E-03 0.219138078683E-03 0.233621426704E-03 0.249062012127E-03 0.265523100821E-03
|
||
|
0.283072140015E-03 0.301781034646E-03 0.321726441981E-03 0.342990085697E-03 0.365659090730E-03
|
||
|
0.389826340247E-03 0.415590856216E-03 0.443058205118E-03 0.472340930484E-03 0.503559014011E-03
|
||
|
0.536840367151E-03 0.572321355194E-03 0.610147355981E-03 0.650473355545E-03 0.693464583117E-03
|
||
|
0.739297188091E-03 0.788158961739E-03 0.840250106607E-03 0.895784056772E-03 0.954988352297E-03
|
||
|
0.101810557148E-02 0.108539432469E-02 0.115713031393E-02 0.123360746235E-02 0.131513911849E-02
|
||
|
0.140205933997E-02 0.149472426219E-02 0.159351355727E-02 0.169883198961E-02 0.181111107402E-02
|
||
|
0.193081084365E-02 0.205842173450E-02 0.219446659469E-02 0.233950282626E-02 0.249412466872E-02
|
||
|
0.265896563328E-02 0.283470109806E-02 0.302205107468E-02 0.322178315770E-02 0.343471566885E-02
|
||
|
0.366172100908E-02 0.390372923197E-02 0.416173185328E-02 0.443678591215E-02 0.473001830053E-02
|
||
|
0.504263037864E-02 0.537590289532E-02 0.573120123332E-02 0.610998100110E-02 0.651379399387E-02
|
||
|
0.694429454841E-02 0.740324631751E-02 0.789252949171E-02 0.841414849807E-02 0.897024020711E-02
|
||
|
0.956308268174E-02 0.101951045037E-01 0.108688947158E-01 0.115872134202E-01 0.123530030767E-01
|
||
|
0.131694005462E-01 0.140397499291E-01 0.149676162513E-01 0.159568000522E-01 0.170113529363E-01
|
||
|
0.181355941496E-01 0.193341282501E-01 0.206118639430E-01 0.219740341582E-01 0.234262174513E-01
|
||
|
0.249743608150E-01 0.266248039948E-01 0.283843054054E-01 0.302600697556E-01 0.322597774924E-01
|
||
|
0.343916161835E-01 0.366643139663E-01 0.390871751980E-01 0.416701184517E-01 0.444237170111E-01
|
||
|
0.473592420290E-01 0.504887085216E-01 0.538249243857E-01 0.573815426359E-01 0.611731170706E-01
|
||
|
0.652151615917E-01 0.695242134163E-01 0.741179004311E-01 0.790150129623E-01 0.842355802446E-01
|
||
|
0.898009518956E-01 0.957338847197E-01 0.102058635185E+00 0.108801057943E+00 0.115988710770E+00
|
||
|
0.123650966366E+00 0.131819131421E+00 0.140526573442E+00 0.149808855821E+00 0.159703881678E+00
|
||
|
0.170252047031E+00 0.181496403894E+00 0.193482833927E+00 0.206260233298E+00 0.219880709479E+00
|
||
|
0.234399790713E+00 0.249876648941E+00 0.266374337040E+00 0.283960041248E+00 0.302705349718E+00
|
||
|
0.322686538192E+00 0.343984873837E+00 0.366686938349E+00 0.390884971492E+00 0.416677236283E+00
|
||
|
0.444168407124E+00 0.473469982240E+00 0.504700721818E+00 0.537987113376E+00 0.573463865888E+00
|
||
|
0.611274434322E+00 0.651571576282E+00 0.694517942533E+00 0.740286703249E+00 0.789062211916E+00
|
||
|
0.841040708842E+00 0.896431066345E+00 0.955455577704E+00 0.101835079203E+01 0.108536839725E+01
|
||
|
0.115677615342E+01 0.123285887869E+01 0.131391948998E+01 0.140028010089E+01 0.149228317877E+01
|
||
|
0.159029276322E+01 0.169469574814E+01 0.180590322895E+01 0.192435191712E+01 0.205050562310E+01
|
||
|
0.218485680918E+01 0.232792821296E+01 0.248027454198E+01 0.264248423923E+01 0.281518131905E+01
|
||
|
0.299902727174E+01 0.319472303457E+01 0.340301102582E+01 0.362467723712E+01 0.386055337804E+01
|
||
|
0.411151906518E+01 0.437850404610E+01 0.466249044616E+01 0.496451502384E+01 0.528567141713E+01
|
||
|
0.562711236025E+01 0.599005184606E+01 0.637576720531E+01 0.678560106877E+01 0.722096317270E+01
|
||
|
0.768333196191E+01 0.817425593737E+01 0.869535468743E+01 0.924831953263E+01 0.983491370422E+01
|
||
|
0.104569719651E+02 0.111163995696E+02 0.118151704451E+02 0.125553244629E+02 0.133389636488E+02
|
||
|
0.141682471677E+02 0.150453848939E+02 0.159726293597E+02 0.169522658519E+02 0.179866003997E+02
|
||
|
0.190779453741E+02 0.202286023913E+02 0.214408421833E+02 0.227168810751E+02 0.240588536742E+02
|
||
|
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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|
||
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local pseudopotential core
|
||
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||
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pspotential valence only
|
||
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||
|
-0.153745446508E+03 -0.153744900782E+03 -0.153744318500E+03 -0.153743697261E+03 -0.153743034507E+03
|
||
|
-0.153742327508E+03 -0.153741573356E+03 -0.153740768948E+03 -0.153739910977E+03 -0.153738995917E+03
|
||
|
-0.153738020009E+03 -0.153736979243E+03 -0.153735869347E+03 -0.153734685765E+03 -0.153733423640E+03
|
||
|
-0.153732077794E+03 -0.153730642705E+03 -0.153729112490E+03 -0.153727480874E+03 -0.153725741168E+03
|
||
|
-0.153723886242E+03 -0.153721908494E+03 -0.153719799822E+03 -0.153717551587E+03 -0.153715154581E+03
|
||
|
-0.153712598987E+03 -0.153709874341E+03 -0.153706969487E+03 -0.153703872536E+03 -0.153700570813E+03
|
||
|
-0.153697050806E+03 -0.153693298112E+03 -0.153689297382E+03 -0.153685032250E+03 -0.153680485276E+03
|
||
|
-0.153675637867E+03 -0.153670470208E+03 -0.153664961179E+03 -0.153659088267E+03 -0.153652827479E+03
|
||
|
-0.153646153243E+03 -0.153639038305E+03 -0.153631453616E+03 -0.153623368222E+03 -0.153614749130E+03
|
||
|
-0.153605561184E+03 -0.153595766915E+03 -0.153585326398E+03 -0.153574197088E+03 -0.153562333649E+03
|
||
|
-0.153549687776E+03 -0.153536207998E+03 -0.153521839475E+03 -0.153506523781E+03 -0.153490198669E+03
|
||
|
-0.153472797826E+03 -0.153454250611E+03 -0.153434481776E+03 -0.153413411169E+03 -0.153390953421E+03
|
||
|
-0.153367017611E+03 -0.153341506912E+03 -0.153314318214E+03 -0.153285341726E+03 -0.153254460551E+03
|
||
|
-0.153221550238E+03 -0.153186478304E+03 -0.153149103734E+03 -0.153109276442E+03 -0.153066836709E+03
|
||
|
-0.153021614584E+03 -0.152973429252E+03 -0.152922088366E+03 -0.152867387341E+03 -0.152809108610E+03
|
||
|
-0.152747020840E+03 -0.152680878104E+03 -0.152610419010E+03 -0.152535365786E+03 -0.152455423320E+03
|
||
|
-0.152370278150E+03 -0.152279597409E+03 -0.152183027714E+03 -0.152080194017E+03 -0.151970698396E+03
|
||
|
-0.151854118802E+03 -0.151730007756E+03 -0.151597891000E+03 -0.151457266099E+03 -0.151307601004E+03
|
||
|
-0.151148332574E+03 -0.150978865067E+03 -0.150798568596E+03 -0.150606777571E+03 -0.150402789122E+03
|
||
|
-0.150185861527E+03 -0.149955212645E+03 -0.149710018382E+03 -0.149449411193E+03 -0.149172478660E+03
|
||
|
-0.148878262150E+03 -0.148565755596E+03 -0.148233904430E+03 -0.147881604703E+03 -0.147507702438E+03
|
||
|
-0.147110993260E+03 -0.146690222369E+03 -0.146244084908E+03 -0.145771226803E+03 -0.145270246159E+03
|
||
|
-0.144739695289E+03 -0.144178083487E+03 -0.143583880659E+03 -0.142955521922E+03 -0.142291413316E+03
|
||
|
-0.141589938782E+03 -0.140849468561E+03 -0.140068369203E+03 -0.139245015372E+03 -0.138377803674E+03
|
||
|
-0.137465168723E+03 -0.136505601710E+03 -0.135497671738E+03 -0.134440050226E+03 -0.133331538705E+03
|
||
|
-0.132171100346E+03 -0.130957895634E+03 -0.129691322589E+03 -0.128371062031E+03 -0.126997128394E+03
|
||
|
-0.125569926667E+03 -0.124090316051E+03 -0.122559680908E+03 -0.120980009476E+03 -0.119353980521E+03
|
||
|
-0.117685057430E+03 -0.115977587899E+03 -0.114236904738E+03 -0.112469418225E+03 -0.110682680940E+03
|
||
|
-0.108885388476E+03 -0.107087248601E+03 -0.105298601507E+03 -0.103529606104E+03 -0.101788752748E+03
|
||
|
-0.100080525327E+03 -0.984024301337E+02 -0.967425654658E+02 -0.950802383434E+02 -0.933925906024E+02
|
||
|
-0.916674784935E+02 -0.899145718282E+02 -0.881507962844E+02 -0.863257786852E+02 -0.842905931722E+02
|
||
|
-0.819022209393E+02 -0.799512722798E+02 -0.780299568564E+02 -0.760943875675E+02 -0.741368051835E+02
|
||
|
-0.721579797290E+02 -0.701801038944E+02 -0.682611566628E+02 -0.663848420557E+02 -0.645531802132E+02
|
||
|
-0.627678103972E+02 -0.610296224676E+02 -0.593391014416E+02 -0.576965056267E+02 -0.561018588624E+02
|
||
|
-0.545547600661E+02 -0.530542745395E+02 -0.515987475775E+02 -0.501857191395E+02 -0.488120159193E+02
|
||
|
-0.474739650486E+02 -0.461677620305E+02 -0.448898751455E+02 -0.436373986023E+02 -0.424082879894E+02
|
||
|
-0.412014510606E+02 -0.400167079948E+02 -0.388546557273E+02 -0.377164744096E+02 -0.366037074253E+02
|
||
|
-0.355180374616E+02 -0.344610745520E+02 -0.334341678242E+02 -0.324382715569E+02 -0.314738143341E+02
|
||
|
-0.305407121858E+02 -0.296383579218E+02 -0.287657155613E+02 -0.279214328483E+02 -0.271039704458E+02
|
||
|
-0.263117250062E+02 -0.255431313562E+02 -0.247967363104E+02 -0.240712432633E+02 -0.233655312987E+02
|
||
|
-0.226786548184E+02 -0.220098300736E+02 -0.213584142188E+02 -0.207238812300E+02
|
||
|
core charge-density (pseudized)
|
||
|
0.258625479764E-07 0.275718657941E-07 0.293941565245E-07 0.313368868179E-07 0.334080168138E-07
|
||
|
0.356160327560E-07 0.379699817646E-07 0.404795089056E-07 0.431548967104E-07 0.460071073075E-07
|
||
|
0.490478273385E-07 0.522895158434E-07 0.557454553096E-07 0.594298060962E-07 0.633576644540E-07
|
||
|
0.675451243809E-07 0.720093435660E-07 0.767686136906E-07 0.818424353770E-07 0.872515980901E-07
|
||
|
0.930182653203E-07 0.991660653954E-07 0.105720188296E-06 0.112707488869E-06 0.120156596861E-06
|
||
|
0.128098034226E-06 0.136564340190E-06 0.145590204569E-06 0.155212609914E-06 0.165470983041E-06
|
||
|
0.176407356576E-06 0.188066541181E-06 0.200496309162E-06 0.213747590209E-06 0.227874680075E-06
|
||
|
0.242935463047E-06 0.258991649122E-06 0.276109026855E-06 0.294357732923E-06 0.313812539498E-06
|
||
|
0.334553160622E-06 0.356664578824E-06 0.380237393327E-06 0.405368191267E-06 0.432159943451E-06
|
||
|
0.460722426262E-06 0.491172671463E-06 0.523635445713E-06 0.558243761790E-06 0.595139423592E-06
|
||
|
0.634473607160E-06 0.676407480109E-06 0.721112861986E-06 0.768772928283E-06 0.819582960977E-06
|
||
|
0.873751148667E-06 0.931499439609E-06 0.993064451111E-06 0.105869843905E-05 0.112867033144E-05
|
||
|
0.120326683037E-05 0.128279358665E-05 0.136757645226E-05 0.145796281542E-05 0.155432302398E-05
|
||
|
0.165705190287E-05 0.176657037185E-05 0.188332717011E-05 0.200780069497E-05 0.214050096201E-05
|
||
|
0.228197169475E-05 0.243279255249E-05 0.259358150537E-05 0.276499736637E-05 0.294774249068E-05
|
||
|
0.314256565346E-05 0.335026511781E-05 0.357169190549E-05 0.380775328379E-05 0.405941648287E-05
|
||
|
0.432771265875E-05 0.461374111825E-05 0.491867382313E-05 0.524376019191E-05 0.559033221900E-05
|
||
|
0.595980993223E-05 0.635370721100E-05 0.677363798893E-05 0.722132286646E-05 0.769859616047E-05
|
||
|
0.820741341978E-05 0.874985943729E-05 0.932815679166E-05 0.994467495349E-05 0.106019399932E-04
|
||
|
0.113026449307E-04 0.120496607684E-04 0.128460482545E-04 0.136950704222E-04 0.146002059586E-04
|
||
|
0.155651634567E-04 0.165938966092E-04 0.176906204063E-04 0.188598284040E-04 0.201063111332E-04
|
||
|
0.214351757257E-04 0.228518668367E-04 0.243621889498E-04 0.259723301561E-04 0.276888875043E-04
|
||
|
0.295188940258E-04 0.314698475456E-04 0.335497413965E-04 0.357670971627E-04 0.381309995870E-04
|
||
|
0.406511337840E-04 0.433378249113E-04 0.462020804630E-04 0.492556353553E-04 0.525109999918E-04
|
||
|
0.559815115036E-04 0.596813883737E-04 0.636257886702E-04 0.678308721247E-04 0.723138663122E-04
|
||
|
0.770931372009E-04 0.821882643615E-04 0.876201211434E-04 0.934109601447E-04 0.995845043265E-04
|
||
|
0.106166044143E-03 0.113182541084E-03 0.120662738054E-03 0.128637277037E-03 0.137138824525E-03
|
||
|
0.146202205235E-03 0.155864544637E-03 0.166165420898E-03 0.177147026848E-03 0.188854342631E-03
|
||
|
0.201335319743E-03 0.214641077221E-03 0.228826110754E-03 0.243948515591E-03 0.260070224155E-03
|
||
|
0.277257259299E-03 0.295580004277E-03 0.315113490488E-03 0.335937704188E-03 0.358137913401E-03
|
||
|
0.381805016360E-03 0.407035912888E-03 0.433933900228E-03 0.462609094920E-03 0.493178882423E-03
|
||
|
0.525768396325E-03 0.560511029041E-03 0.597548976083E-03 0.637033816089E-03 0.679127128933E-03
|
||
|
0.724001154426E-03 0.771839494216E-03 0.822837859737E-03 0.877204869174E-03 0.935162896637E-03
|
||
|
0.996948976941E-03 0.106281576957E-02 0.113303258571E-02 0.120788648230E-02 0.128768342764E-02
|
||
|
0.137274954294E-02 0.146343242480E-02 0.156010255388E-02 0.166315479509E-02 0.177300999539E-02
|
||
|
0.189011668521E-02 0.201495289022E-02 0.214802806033E-02 0.228988512357E-02 0.244110267233E-02
|
||
|
0.260229729071E-02 0.277412603152E-02 0.295728905239E-02 0.315253242081E-02 0.336065109870E-02
|
||
|
0.358249211732E-02 0.381895795439E-02 0.407101012563E-02 0.433967300375E-02 0.462603787854E-02
|
||
|
0.493126727243E-02 0.525659952674E-02 0.560335367448E-02 0.597293461642E-02 0.636683861780E-02
|
||
|
0.678665914425E-02 0.723409305568E-02 0.771094717841E-02 0.821914527607E-02 0.876073544091E-02
|
||
|
0.933789792783E-02 0.995295345424E-02 0.106083719894E-01 0.113067820577E-01 0.120509805810E-01
|
||
|
0.128439432847E-01 0.136888356944E-01 0.145890247473E-01 0.155480910464E-01 0.165698417800E-01
|
||
|
0.176583243342E-01 0.188178406206E-01 0.200529621425E-01 0.213685458206E-01 0.227697505966E-01
|
||
|
0.242620548303E-01 0.258512745025E-01 0.275435822312E-01 0.293455271025E-01 0.312640553127E-01
|
||
|
0.333065316085E-01 0.354807615023E-01 0.377950142328E-01 0.402580464211E-01 0.428791263638E-01
|
||
|
0.456680588836E-01 0.486352106379E-01 0.517915357616E-01 0.551486016958E-01 0.587186150179E-01
|
||
|
0.625144470577E-01 0.665496590396E-01 0.708385264448E-01 0.753960622363E-01 0.802380385258E-01
|
||
|
0.853810061963E-01 0.908423119160E-01 0.966401118931E-01 0.102793381623E+00 0.109321920772E+00
|
||
|
0.116246352222E+00 0.123588114161E+00 0.131369443964E+00 0.139613352431E+00 0.148343586786E+00
|
||
|
0.157584580623E+00 0.167361388786E+00 0.177699604931E+00 0.188625259258E+00 0.200164693644E+00
|
||
|
0.212344411124E+00 0.225190896356E+00 0.238730403411E+00 0.252988706904E+00 0.267990812177E+00
|
||
|
0.283760619914E+00 0.300320540320E+00 0.317691051691E+00 0.335890198034E+00 0.354933020224E+00
|
||
|
0.374830915175E+00 0.395590917554E+00 0.417214898842E+00 0.439698678997E+00 0.463031046693E+00
|
||
|
0.487192685185E+00 0.512155002280E+00 0.537878864851E+00 0.564313240866E+00 0.591393755081E+00
|
||
|
0.619041168606E+00 0.647159797468E+00 0.675635891326E+00 0.704336000703E+00 0.733105369614E+00
|
||
|
0.761766400482E+00 0.790117249690E+00 0.817930625223E+00 0.844952872413E+00 0.870903449838E+00
|
||
|
0.895474914570E+00 0.918333553794E+00 0.939120817716E+00 0.957455725528E+00 0.972938430770E+00
|
||
|
0.985155142760E+00 0.993684604595E+00 0.998106322364E+00 0.998010721089E+00 0.993011365765E+00
|
||
|
0.982759325481E+00 0.966959668775E+00 0.945389952352E+00 0.917920396005E+00 0.884535217133E+00
|
||
|
0.845354322648E+00 0.800654220535E+00 0.750886617599E+00 0.696692719615E+00 0.638910759330E+00
|
||
|
0.578573772335E+00 0.516894162484E+00 0.455231209011E+00 0.395037453028E+00 0.337779976452E+00
|
||
|
0.284833096956E+00 0.237340124008E+00 0.196043753517E+00 0.161084959850E+00 0.131879594709E+00
|
||
|
0.107612649544E+00 0.875447781062E-01 0.710201762340E-01 0.574643659043E-01 0.463802237034E-01
|
||
|
0.373425482741E-01 0.299914963256E-01 0.240253224209E-01 0.191929142635E-01 0.152866262830E-01
|
||
|
0.121353496115E-01 0.959875454532E-02 0.756197082431E-02 0.593110962250E-02 0.462949079627E-02
|
||
|
0.359450330533E-02 0.277501870352E-02 0.212927713484E-02 0.162316962192E-02 0.122884771887E-02
|
||
|
0.923599805508E-03 0.688941790679E-03 0.509878061970E-03 0.374296501439E-03 0.272468605467E-03
|
||
|
0.196632523332E-03 0.140642571740E-03 0.996733477934E-04 0.699698740473E-04 0.486373974755E-04
|
||
|
0.334657842634E-04 0.227841925678E-04 0.153421181390E-04 0.102131766552E-04 0.671822405958E-05
|
||
|
0.436467774384E-05 0.279919934942E-05 0.177123167272E-05 0.110522466507E-05 0.679723390558E-06
|
||
|
0.411806102003E-06 0.245643066740E-06 0.144191316635E-06 0.832466955081E-07 0.472450645641E-07
|
||
|
0.263434373904E-07 0.144236655543E-07 0.775034900029E-08 0.408467980305E-08
|
||
|
pseudo wavefunction
|
||
|
0.307981489872E-04 0.317996279644E-04 0.328336725400E-04 0.339013416661E-04 0.350037287292E-04
|
||
|
0.361419626699E-04 0.373172091395E-04 0.385306716931E-04 0.397835930225E-04 0.410772562287E-04
|
||
|
0.424129861359E-04 0.437921506485E-04 0.452161621515E-04 0.466864789574E-04 0.482046067991E-04
|
||
|
0.497721003724E-04 0.513905649279E-04 0.530616579150E-04 0.547870906791E-04 0.565686302144E-04
|
||
|
0.584081009734E-04 0.603073867351E-04 0.622684325345E-04 0.642932466543E-04 0.663839026815E-04
|
||
|
0.685425416309E-04 0.707713741380E-04 0.730726827226E-04 0.754488241265E-04 0.779022317267E-04
|
||
|
0.804354180277E-04 0.830509772345E-04 0.857515879091E-04 0.885400157140E-04 0.914191162439E-04
|
||
|
0.943918379505E-04 0.974612251620E-04 0.100630421201E-03 0.103902671601E-03 0.107281327437E-03
|
||
|
0.110769848747E-03 0.114371808086E-03 0.118090894176E-03 0.121930915689E-03 0.125895805146E-03
|
||
|
0.129989622942E-03 0.134216561510E-03 0.138580949606E-03 0.143087256751E-03 0.147740097800E-03
|
||
|
0.152544237675E-03 0.157504596240E-03 0.162626253342E-03 0.167914454012E-03 0.173374613838E-03
|
||
|
0.179012324508E-03 0.184833359539E-03 0.190843680191E-03 0.197049441567E-03 0.203456998922E-03
|
||
|
0.210072914167E-03 0.216903962593E-03 0.223957139806E-03 0.231239668892E-03 0.238759007819E-03
|
||
|
0.246522857068E-03 0.254539167521E-03 0.262816148608E-03 0.271362276708E-03 0.280186303836E-03
|
||
|
0.289297266601E-03 0.298704495462E-03 0.308417624286E-03 0.318446600212E-03 0.328801693838E-03
|
||
|
0.339493509742E-03 0.350532997337E-03 0.361931462092E-03 0.373700577105E-03 0.385852395061E-03
|
||
|
0.398399360574E-03 0.411354322930E-03 0.424730549255E-03 0.438541738092E-03 0.452802033439E-03
|
||
|
0.467526039229E-03 0.482728834293E-03 0.498425987797E-03 0.514633575193E-03 0.531368194680E-03
|
||
|
0.548646984209E-03 0.566487639027E-03 0.584908429811E-03 0.603928221375E-03 0.623566491992E-03
|
||
|
0.643843353350E-03 0.664779571146E-03 0.686396586358E-03 0.708716537206E-03 0.731762281831E-03
|
||
|
0.755557421704E-03 0.780126325806E-03 0.805494155587E-03 0.831686890744E-03 0.858731355829E-03
|
||
|
0.886655247734E-03 0.915487164060E-03 0.945256632413E-03 0.975994140659E-03 0.100773116815E-02
|
||
|
0.104050021799E-02 0.107433485032E-02 0.110926971670E-02 0.114534059563E-02 0.118258442922E-02
|
||
|
0.122103936099E-02 0.126074477502E-02 0.130174133627E-02 0.134407103228E-02 0.138777721615E-02
|
||
|
0.143290465106E-02 0.147949955604E-02 0.152760965345E-02 0.157728421784E-02 0.162857412646E-02
|
||
|
0.168153191146E-02 0.173621181369E-02 0.179266983839E-02 0.185096381256E-02 0.191115344428E-02
|
||
|
0.197330038398E-02 0.203746828761E-02 0.210372288201E-02 0.217213203231E-02 0.224276581156E-02
|
||
|
0.231569657264E-02 0.239099902254E-02 0.246875029904E-02 0.254903004986E-02 0.263192051453E-02
|
||
|
0.271750660875E-02 0.280587601172E-02 0.289711925612E-02 0.299132982122E-02 0.308860422893E-02
|
||
|
0.318904214303E-02 0.329274647168E-02 0.339982347328E-02 0.351038286577E-02 0.362453793959E-02
|
||
|
0.374240567432E-02 0.386410685917E-02 0.398976621744E-02 0.411951253506E-02 0.425347879343E-02
|
||
|
0.439180230658E-02 0.453462486297E-02 0.468209287184E-02 0.483435751455E-02 0.499157490087E-02
|
||
|
0.515390623050E-02 0.532151795994E-02 0.549458197493E-02 0.567327576868E-02 0.585778262603E-02
|
||
|
0.604829181378E-02 0.624499877745E-02 0.644810534461E-02 0.665781993512E-02 0.687435777842E-02
|
||
|
0.709794113822E-02 0.732879954484E-02 0.756717003541E-02 0.781329740233E-02 0.806743445021E-02
|
||
|
0.832984226168E-02 0.860079047232E-02 0.888055755515E-02 0.916943111503E-02 0.946770819328E-02
|
||
|
0.977569558301E-02 0.100937101556E-01 0.104220791986E-01 0.107611407658E-01 0.111112440397E-01
|
||
|
0.114727497074E-01 0.118460303490E-01 0.122314708418E-01 0.126294687779E-01 0.130404348976E-01
|
||
|
0.134647935394E-01 0.139029831063E-01 0.143554565498E-01 0.148226818725E-01 0.153051426498E-01
|
||
|
0.158033385719E-01 0.163177860068E-01 0.168490185862E-01 0.173975878134E-01 0.179640636975E-01
|
||
|
0.185490354116E-01 0.191531119797E-01 0.197769229909E-01 0.204211193450E-01 0.210863740288E-01
|
||
|
0.217733829267E-01 0.224828656665E-01 0.232155665030E-01 0.239722552414E-01 0.247537282024E-01
|
||
|
0.255608092328E-01 0.263943507629E-01 0.272552349150E-01 0.281443746647E-01 0.290627150606E-01
|
||
|
0.300112345035E-01 0.309909460918E-01 0.320028990350E-01 0.330481801421E-01 0.341279153886E-01
|
||
|
0.352432715683E-01 0.363954580350E-01 0.375857285424E-01 0.388153831864E-01 0.400857704602E-01
|
||
|
0.413982894276E-01 0.427543920259E-01 0.441555855058E-01 0.456034350193E-01 0.470995663675E-01
|
||
|
0.486456689185E-01 0.502434987100E-01 0.518948817492E-01 0.536017175254E-01 0.553659827522E-01
|
||
|
0.571897353543E-01 0.590751187204E-01 0.610243662392E-01 0.630398061413E-01 0.651238666697E-01
|
||
|
0.672790816016E-01 0.695080961488E-01 0.718136732619E-01 0.741987003688E-01 0.766661965754E-01
|
||
|
0.792193203623E-01 0.818613778070E-01 0.845958313690E-01 0.874263092694E-01 0.903566155017E-01
|
||
|
0.933907405091E-01 0.965328725638E-01 0.997874098806E-01 0.103158973501E+00 0.106652420971E+00
|
||
|
0.110272860852E+00 0.114025668063E+00 0.117916500093E+00 0.121951314068E+00 0.126136384678E+00
|
||
|
0.130478322933E+00 0.134984095714E+00 0.139661046050E+00 0.144516914042E+00 0.149559858290E+00
|
||
|
0.154798477685E+00 0.160241833332E+00 0.165899470349E+00 0.171781439198E+00 0.177898316144E+00
|
||
|
0.184261222313E+00 0.190881840756E+00 0.197772430749E+00 0.204945838454E+00 0.212415502875E+00
|
||
|
0.220195455851E+00 0.228300314603E+00 0.236745265121E+00 0.245546034355E+00 0.254718848901E+00
|
||
|
0.264280377460E+00 0.274247654019E+00 0.284637978218E+00 0.295468788923E+00 0.306757506524E+00
|
||
|
0.318521338937E+00 0.330777045742E+00 0.343540654344E+00 0.356827121469E+00 0.370649932825E+00
|
||
|
0.385020633289E+00 0.399948279653E+00 0.415438807769E+00 0.431494305981E+00 0.448112187080E+00
|
||
|
0.465284251733E+00 0.482995637636E+00 0.501223650503E+00 0.519936475738E+00 0.539091773320E+00
|
||
|
0.558635163290E+00 0.578498615476E+00 0.598598764934E+00 0.618835184191E+00 0.639088655007E+00
|
||
|
0.659219496063E+00 0.679066018805E+00 0.698443201613E+00 0.717141692036E+00 0.734927267800E+00
|
||
|
0.751540908407E+00 0.766699649443E+00 0.780098409005E+00 0.791412987646E+00 0.800304446547E+00
|
||
|
0.806425059191E+00 0.809424210014E+00 0.809084510625E+00 0.805425394621E+00 0.798519071634E+00
|
||
|
0.788463262685E+00 0.775381651798E+00 0.759423968298E+00 0.740765593877E+00 0.719606792011E+00
|
||
|
0.696171590532E+00 0.670705968465E+00 0.643475320626E+00 0.614760951897E+00 0.584855454895E+00
|
||
|
0.554057135779E+00 0.522663723048E+00 0.490965828915E+00 0.459240743951E+00 0.427747067869E+00
|
||
|
0.396720559551E+00 0.366371392965E+00 0.336882814612E+00 0.308411045059E+00 0.281086167598E+00
|
||
|
0.255013700227E+00 0.230276544718E+00 0.206937038849E+00 0.185038896366E+00 0.164608893325E+00
|
||
|
0.145658249230E+00 0.128183718966E+00 0.112168486206E+00 0.975829758199E-01 0.843857097259E-01
|
||
|
0.725243070489E-01 0.619366887150E-01 0.525524999864E-01 0.442947224699E-01 0.370814164233E-01
|
||
|
0.308275172712E-01 0.254466062924E-01 0.208525816499E-01 0.169611688472E-01
|
||
|
ae wavefunction
|
||
|
-0.387614842897E-02 -0.398249269160E-02 -0.409170799481E-02 -0.420386929964E-02 -0.431905335998E-02
|
||
|
-0.443733875551E-02 -0.455880592447E-02 -0.468353719626E-02 -0.481161682387E-02 -0.494313101598E-02
|
||
|
-0.507816796876E-02 -0.521681789712E-02 -0.535917306549E-02 -0.550532781787E-02 -0.565537860722E-02
|
||
|
-0.580942402383E-02 -0.596756482283E-02 -0.612990395042E-02 -0.629654656886E-02 -0.646760008007E-02
|
||
|
-0.664317414748E-02 -0.682338071618E-02 -0.700833403108E-02 -0.719815065279E-02 -0.739294947123E-02
|
||
|
-0.759285171646E-02 -0.779798096674E-02 -0.800846315335E-02 -0.822442656213E-02 -0.844600183113E-02
|
||
|
-0.867332194440E-02 -0.890652222133E-02 -0.914574030136E-02 -0.939111612356E-02 -0.964279190078E-02
|
||
|
-0.990091208790E-02 -0.101656233438E-01 -0.104370744864E-01 -0.107154164408E-01 -0.110008021788E-01
|
||
|
-0.112933866513E-01 -0.115933267104E-01 -0.119007810226E-01 -0.122159099722E-01 -0.125388755526E-01
|
||
|
-0.128698412470E-01 -0.132089718961E-01 -0.135564335526E-01 -0.139123933218E-01 -0.142770191868E-01
|
||
|
-0.146504798179E-01 -0.150329443653E-01 -0.154245822330E-01 -0.158255628341E-01 -0.162360553257E-01
|
||
|
-0.166562283220E-01 -0.170862495846E-01 -0.175262856889E-01 -0.179765016644E-01 -0.184370606081E-01
|
||
|
-0.189081232695E-01 -0.193898476052E-01 -0.198823883013E-01 -0.203858962624E-01 -0.209005180654E-01
|
||
|
-0.214263953755E-01 -0.219636643228E-01 -0.225124548377E-01 -0.230728899431E-01 -0.236450850005E-01
|
||
|
-0.242291469082E-01 -0.248251732497E-01 -0.254332513887E-01 -0.260534575099E-01 -0.266858556017E-01
|
||
|
-0.273304963784E-01 -0.279874161406E-01 -0.286566355691E-01 -0.293381584509E-01 -0.300319703349E-01
|
||
|
-0.307380371130E-01 -0.314563035253E-01 -0.321866915860E-01 -0.329290989268E-01 -0.336833970569E-01
|
||
|
-0.344494295339E-01 -0.352270100463E-01 -0.360159204025E-01 -0.368159084258E-01 -0.376266857519E-01
|
||
|
-0.384479255273E-01 -0.392792600075E-01 -0.401202780524E-01 -0.409705225179E-01 -0.418294875435E-01
|
||
|
-0.426966157348E-01 -0.435712952411E-01 -0.444528567284E-01 -0.453405702493E-01 -0.462336420114E-01
|
||
|
-0.471312110470E-01 -0.480323457861E-01 -0.489360405401E-01 -0.498412118976E-01 -0.507466950421E-01
|
||
|
-0.516512399971E-01 -0.525535078098E-01 -0.534520666818E-01 -0.543453880604E-01 -0.552318427053E-01
|
||
|
-0.561096967448E-01 -0.569771077417E-01 -0.578321207877E-01 -0.586726646512E-01 -0.594965480022E-01
|
||
|
-0.603014557450E-01 -0.610849454879E-01 -0.618444441878E-01 -0.625772450055E-01 -0.632805044160E-01
|
||
|
-0.639512396186E-01 -0.645863262981E-01 -0.651824967919E-01 -0.657363387214E-01 -0.662442941540E-01
|
||
|
-0.667026593620E-01 -0.671075852563E-01 -0.674550785721E-01 -0.677410038927E-01 -0.679610866029E-01
|
||
|
-0.681109168681E-01 -0.681859547401E-01 -0.681815364996E-01 -0.680928823467E-01 -0.679151055583E-01
|
||
|
-0.676432232364E-01 -0.672721687751E-01 -0.667968061779E-01 -0.662119463617E-01 -0.655123655864E-01
|
||
|
-0.646928261484E-01 -0.637480994815E-01 -0.626729918035E-01 -0.614623724481E-01 -0.601112050160E-01
|
||
|
-0.586145814747E-01 -0.569677593263E-01 -0.551662019553E-01 -0.532056222525E-01 -0.510820295948E-01
|
||
|
-0.487917802426E-01 -0.463316311909E-01 -0.436987974829E-01 -0.408910129621E-01 -0.379065944029E-01
|
||
|
-0.347445089136E-01 -0.314044444611E-01 -0.278868833075E-01 -0.241931780917E-01 -0.203256302173E-01
|
||
|
-0.162875701365E-01 -0.120834390377E-01 -0.771887136021E-02 -0.320077746778E-02 0.146257427458E-02
|
||
|
0.626147687148E-02 0.111847064547E-01 0.162194474595E-01 0.213512223466E-01 0.265638271067E-01
|
||
|
0.318392739079E-01 0.371577423989E-01 0.424975413495E-01 0.478350824946E-01 0.531448686147E-01
|
||
|
0.583994980368E-01 0.635696878354E-01 0.686243180707E-01 0.735304994078E-01 0.782536664266E-01
|
||
|
0.827576988582E-01 0.870050728764E-01 0.909570444334E-01 0.945738664590E-01 0.978150415427E-01
|
||
|
0.100639611473E+00 0.103006484710E+00 0.104874802490E+00 0.106204343852E+00 0.106955969310E+00
|
||
|
0.107092102354E+00 0.106577247240E+00 0.105378540787E+00 0.103466335042E+00 0.100814806740E+00
|
||
|
0.974025885048E-01 0.932134156310E-01 0.882367811946E-01 0.824685910679E-01 0.759118092468E-01
|
||
|
0.685770827281E-01 0.604833340649E-01 0.516583086674E-01 0.421390629793E-01 0.319723788646E-01
|
||
|
0.212150889469E-01 0.993429733096E-02 -0.179251981200E-02 -0.138775487718E-01 -0.262228218429E-01
|
||
|
-0.387205622264E-01 -0.512537008841E-01 -0.636965744398E-01 -0.759158123967E-01 -0.877714218130E-01
|
||
|
-0.991180775443E-01 -0.109806624901E+00 -0.119685797309E+00 -0.128604143288E+00 -0.136412146534E+00
|
||
|
-0.142964514048E+00 -0.148122602649E+00 -0.151756951885E+00 -0.153749888051E+00 -0.153998158710E+00
|
||
|
-0.152415551358E+00 -0.148935445175E+00 -0.143513241829E+00 -0.136128619347E+00 -0.126787551673E+00
|
||
|
-0.115524035636E+00 -0.102401466730E+00 -0.875136058508E-01 -0.709850814289E-01 -0.529713755462E-01
|
||
|
-0.336582491522E-01 -0.132605703914E-01 0.797947874883E-02 0.297948292881E-01 0.518965828301E-01
|
||
|
0.739776796887E-01 0.957171331744E-01 0.116784749308E+00 0.136846204081E+00 0.155568314423E+00
|
||
|
0.172624361088E+00 0.187699443964E+00 0.200496034992E+00 0.210739932307E+00 0.218186484531E+00
|
||
|
0.222626518726E+00 0.223891447826E+00 0.221857431602E+00 0.216448677893E+00 0.207639926261E+00
|
||
|
0.195458062926E+00 0.179982778394E+00 0.161346201797E+00 0.139731501361E+00 0.115370497227E+00
|
||
|
0.885403729025E-01 0.595595928979E-01 0.287831426131E-01 -0.340279155940E-02 -0.365865851261E-01
|
||
|
-0.703372668225E-01 -0.104210826431E+00 -0.137756629586E+00 -0.170523832427E+00 -0.202067691344E+00
|
||
|
-0.231955666364E+00 -0.259773220726E+00 -0.285129225263E+00 -0.307660882915E+00 -0.327038099961E+00
|
||
|
-0.342967244798E+00 -0.355194259437E+00 -0.363507122027E+00 -0.367737696739E+00 -0.367763035625E+00
|
||
|
-0.363506201778E+00 -0.354936655736E+00 -0.342070200791E+00 -0.324968447581E+00 -0.303737743888E+00
|
||
|
-0.278527536882E+00 -0.249528163695E+00 -0.216968102545E+00 -0.181110737013E+00 -0.142250699704E+00
|
||
|
-0.100709870817E+00 -0.568331037212E-01 -0.109837533770E-01 0.364609226580E-01 0.851144207848E-01
|
||
|
0.134585638254E+00 0.184483440266E+00 0.234421073758E+00 0.284020349937E+00 0.332915515760E+00
|
||
|
0.380756740466E+00 0.427213161898E+00 0.471975469306E+00 0.514758039692E+00 0.555300691130E+00
|
||
|
0.593370112347E+00 0.628761023428E+00 0.661296995352E+00 0.690830708747E+00 0.717243272472E+00
|
||
|
0.740442222025E+00 0.760358130258E+00 0.776940415289E+00 0.790153582114E+00 0.799975228832E+00
|
||
|
0.806396452113E+00 0.809424210014E+00 0.809084510625E+00 0.805425394621E+00 0.798519071634E+00
|
||
|
0.788463262685E+00 0.775381651798E+00 0.759423968298E+00 0.740765593877E+00 0.719606792011E+00
|
||
|
0.696171590532E+00 0.670705968465E+00 0.643475320626E+00 0.614760951897E+00 0.584855454895E+00
|
||
|
0.554057135779E+00 0.522663723048E+00 0.490965828915E+00 0.459240743951E+00 0.427747067869E+00
|
||
|
0.396720559551E+00 0.366371392965E+00 0.336882814612E+00 0.308411045059E+00 0.281086167598E+00
|
||
|
0.255013700227E+00 0.230276544718E+00 0.206937038849E+00 0.185038896366E+00 0.164608893325E+00
|
||
|
0.145658249230E+00 0.128183718966E+00 0.112168486206E+00 0.975829758199E-01 0.843857097259E-01
|
||
|
0.725243070489E-01 0.619366887150E-01 0.525524999864E-01 0.442947224699E-01 0.370814164233E-01
|
||
|
0.308275172712E-01 0.254466062924E-01 0.208525816499E-01 0.169611688472E-01
|
||
|
pseudo wavefunction
|
||
|
0.713881541682E-04 0.737095188695E-04 0.761063685618E-04 0.785811578288E-04 0.811364210712E-04
|
||
|
0.837747751024E-04 0.864989218276E-04 0.893116510115E-04 0.922158431351E-04 0.952144723453E-04
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||
|
0.983106095010E-04 0.101507425318E-03 0.104808193615E-03 0.108216294668E-03 0.111735218672E-03
|
||
|
0.115368569312E-03 0.119120067459E-03 0.122993554974E-03 0.126992998650E-03 0.131122494267E-03
|
||
|
0.135386270790E-03 0.139788694701E-03 0.144334274468E-03 0.149027665164E-03 0.153873673233E-03
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||
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0.158877261414E-03 0.164043553818E-03 0.169377841185E-03 0.174885586294E-03 0.180572429560E-03
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||
|
0.186444194810E-03 0.192506895250E-03 0.198766739618E-03 0.205230138547E-03 0.211903711127E-03
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||
|
0.218794291685E-03 0.225908936785E-03 0.233254932450E-03 0.240839801631E-03 0.248671311904E-03
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||
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0.256757483428E-03 0.265106597161E-03 0.273727203334E-03 0.282628130215E-03 0.291818493144E-03
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||
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0.301307703869E-03 0.311105480187E-03 0.321221855896E-03 0.331667191068E-03 0.342452182660E-03
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||
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||
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||
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||
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||
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0.670572815195E-03 0.692378186359E-03 0.714892615417E-03 0.738139159326E-03 0.762141624815E-03
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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||
|
ae wavefunction
|
||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
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||
|
-0.821792968693E-01 0.201764598775E-01 0.125623193090E+00 0.233025219034E+00 0.341195504330E+00
|
||
|
0.448905987606E+00 0.554898226164E+00 0.657894273199E+00 0.756607690713E+00 0.849754609910E+00
|
||
|
0.936064780060E+00 0.101429260801E+01 0.108322827851E+01 0.114170914456E+01 0.118863167588E+01
|
||
|
0.122296422159E+01 0.124376081450E+01 0.125017596255E+01 0.124148012252E+01 0.121707537727E+01
|
||
|
0.117651106963E+01 0.111949993690E+01 0.104593640525E+01 0.955919264822E+00 0.849780098811E+00
|
||
|
0.728116742367E+00 0.591828983699E+00 0.442152963500E+00 0.280691347916E+00 0.109437175963E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
pseudo wavefunction
|
||
|
0.983461637094E-08 0.104846097542E-07 0.111775627589E-07 0.119163146893E-07 0.127038925063E-07
|
||
|
0.135435232297E-07 0.144386471609E-07 0.153929319789E-07 0.164102877687E-07 0.174948830417E-07
|
||
|
0.186511618167E-07 0.198838618280E-07 0.211980339383E-07 0.225990628338E-07 0.240926890874E-07
|
||
|
0.256850326804E-07 0.273826180781E-07 0.291924009636E-07 0.311217967375E-07 0.331787109019E-07
|
||
|
0.353715714527E-07 0.377093634118E-07 0.402016656430E-07 0.428586901000E-07 0.456913236687E-07
|
||
|
0.487111727756E-07 0.519306109433E-07 0.553628294902E-07 0.590218915804E-07 0.629227898459E-07
|
||
|
0.670815078176E-07 0.715150854159E-07 0.762416887700E-07 0.812806846521E-07 0.866527198301E-07
|
||
|
0.923798056659E-07 0.984854083048E-07 0.104994544825E-06 0.111933885743E-06 0.119331864292E-06
|
||
|
0.127218792927E-06 0.135626987522E-06 0.144590899786E-06 0.154147258421E-06 0.164335219616E-06
|
||
|
0.175196527485E-06 0.186775685110E-06 0.199120136882E-06 0.212280462908E-06 0.226310586250E-06
|
||
|
0.241267993872E-06 0.257213972184E-06 0.274213858161E-06 0.292337307048E-06 0.311658577766E-06
|
||
|
0.332256837183E-06 0.354216484486E-06 0.377627497000E-06 0.402585798856E-06 0.429193654032E-06
|
||
|
0.457560085367E-06 0.487801321265E-06 0.520041271931E-06 0.554412037075E-06 0.591054447172E-06
|
||
|
0.630118640500E-06 0.671764678313E-06 0.716163200663E-06 0.763496125585E-06 0.813957394472E-06
|
||
|
0.867753766729E-06 0.925105666937E-06 0.986248088011E-06 0.105143155405E-05 0.112092314682E-05
|
||
|
0.119500760008E-05 0.127398846625E-05 0.135818936012E-05 0.144795528487E-05 0.154365404563E-05
|
||
|
0.164567775648E-05 0.175444444712E-05 0.187039977561E-05 0.199401885440E-05 0.212580819703E-05
|
||
|
0.226630779342E-05 0.241609332240E-05 0.257577851043E-05 0.274601764619E-05 0.292750826137E-05
|
||
|
0.312099398870E-05 0.332726760871E-05 0.354717429801E-05 0.378161509216E-05 0.403155057740E-05
|
||
|
0.429800482638E-05 0.458206959398E-05 0.488490879045E-05 0.520776325012E-05 0.555195581531E-05
|
||
|
0.591889675620E-05 0.631008954884E-05 0.672713703509E-05 0.717174798960E-05 0.764574412070E-05
|
||
|
0.815106753410E-05 0.868978868964E-05 0.926411488404E-05 0.987639929401E-05 0.105291506172E-04
|
||
|
0.112250433498E-04 0.119669287442E-04 0.127578464893E-04 0.136010371643E-04 0.144999555139E-04
|
||
|
0.154582846019E-04 0.164799508993E-04 0.175691403697E-04 0.187303156172E-04 0.199682341677E-04
|
||
|
0.212879679579E-04 0.226949241121E-04 0.241948670912E-04 0.257939423061E-04 0.274987012896E-04
|
||
|
0.293161285331E-04 0.312536700947E-04 0.333192640976E-04 0.355213732439E-04 0.378690194752E-04
|
||
|
0.403718209232E-04 0.430400313005E-04 0.458845818940E-04 0.489171263306E-04 0.521500883007E-04
|
||
|
0.555967124319E-04 0.592711185234E-04 0.631883593612E-04 0.673644823507E-04 0.718165952183E-04
|
||
|
0.765629360514E-04 0.816229479616E-04 0.870173586759E-04 0.927682653824E-04 0.988992251750E-04
|
||
|
0.105435351467E-03 0.112403416766E-03 0.119831962230E-03 0.127751414455E-03 0.136194209957E-03
|
||
|
0.145194927875E-03 0.154790431415E-03 0.165020018632E-03 0.175925583139E-03 0.187551785421E-03
|
||
|
0.199946235431E-03 0.213159687220E-03 0.227246246393E-03 0.242263591220E-03 0.258273208311E-03
|
||
|
0.275340643810E-03 0.293535771113E-03 0.312933076208E-03 0.333611961774E-03 0.355657071291E-03
|
||
|
0.379158634435E-03 0.404212835190E-03 0.430922204116E-03 0.459396036393E-03 0.489750837283E-03
|
||
|
0.522110796823E-03 0.556608295637E-03 0.593384443890E-03 0.632589655539E-03 0.674384260176E-03
|
||
|
0.718939154878E-03 0.766436498670E-03 0.817070452345E-03 0.871047966564E-03 0.928589621341E-03
|
||
|
0.989930520225E-03 0.105532124267E-02 0.112502885832E-02 0.119933800720E-02 0.127855204989E-02
|
||
|
0.136299429233E-02 0.145300928975E-02 0.154896423492E-02 0.165125043592E-02 0.176028488902E-02
|
||
|
0.187651195275E-02 0.200040512932E-02 0.213246896013E-02 0.227324104232E-02 0.242329417392E-02
|
||
|
0.258323863538E-02 0.275372461568E-02 0.293544479193E-02 0.312913707151E-02 0.333558750644E-02
|
||
|
0.355563339022E-02 0.379016654771E-02 0.404013682930E-02 0.430655582115E-02 0.459050078352E-02
|
||
|
0.489311883030E-02 0.521563136278E-02 0.555933877166E-02 0.592562542160E-02 0.631596493324E-02
|
||
|
0.673192577792E-02 0.717517720099E-02 0.764749548966E-02 0.815077060217E-02 0.868701317459E-02
|
||
|
0.925836192249E-02 0.986709145412E-02 0.105156205119E-01 0.112065206591E-01 0.119425254266E-01
|
||
|
0.127265399370E-01 0.135616510185E-01 0.144511378219E-01 0.153984829536E-01 0.164073841315E-01
|
||
|
0.174817663719E-01 0.186257947096E-01 0.198438874518E-01 0.211407299588E-01 0.225212889419E-01
|
||
|
0.239908272604E-01 0.255549191918E-01 0.272194661414E-01 0.289907127452E-01 0.308752633101E-01
|
||
|
0.328800985174E-01 0.350125923024E-01 0.372805288035E-01 0.396921192492E-01 0.422560186321E-01
|
||
|
0.449813419853E-01 0.478776800476E-01 0.509551140664E-01 0.542242294465E-01 0.576961279053E-01
|
||
|
0.613824377431E-01 0.652953217803E-01 0.694474824432E-01 0.738521634130E-01 0.785231471655E-01
|
||
|
0.834747476429E-01 0.887217971981E-01 0.942796268430E-01 0.100164038714E+00 0.106391269539E+00
|
||
|
0.112977943740E+00 0.119941014679E+00 0.127297692362E+00 0.135065355768E+00 0.143261447793E+00
|
||
|
0.151903350593E+00 0.161008238951E+00 0.170592909090E+00 0.180673580175E+00 0.191265665580E+00
|
||
|
0.202383510852E+00 0.214040095183E+00 0.226246693114E+00 0.239012493212E+00 0.252344170471E+00
|
||
|
0.266245409404E+00 0.280716375037E+00 0.295753129487E+00 0.311346992425E+00 0.327483844628E+00
|
||
|
0.344143374950E+00 0.361298272569E+00 0.378913368237E+00 0.396944730632E+00 0.415338726777E+00
|
||
|
0.434031058960E+00 0.452945794753E+00 0.471994411542E+00 0.491074882631E+00 0.510070838403E+00
|
||
|
0.528850843205E+00 0.547267836591E+00 0.565158796139E+00 0.582344688031E+00 0.598630780774E+00
|
||
|
0.613807406228E+00 0.627651260040E+00 0.639927339782E+00 0.650391622451E+00 0.658794582346E+00
|
||
|
0.664885643807E+00 0.668418649230E+00 0.669158398593E+00 0.666888280162E+00 0.661418960189E+00
|
||
|
0.652598029624E+00 0.640320415570E+00 0.624539252512E+00 0.605276772455E+00 0.582634614975E+00
|
||
|
0.556802781523E+00 0.528066270634E+00 0.496808244314E+00 0.463508409883E+00 0.428735182284E+00
|
||
|
0.393130154966E+00 0.357383497547E+00 0.322199169275E+00 0.288249349154E+00 0.256118298679E+00
|
||
|
0.226237047797E+00 0.198812117637E+00 0.173817347148E+00 0.151162860244E+00 0.130746385586E+00
|
||
|
0.112453726751E+00 0.961614112328E-01 0.817391809814E-01 0.690523490340E-01 0.579640138321E-01
|
||
|
0.483371054617E-01 0.400362379796E-01 0.329293476403E-01 0.268891055069E-01 0.217941037885E-01
|
||
|
0.175298224768E-01 0.139893866146E-01 0.110741224967E-01 0.869391970088E-02 0.676740274356E-02
|
||
|
0.522191818347E-02 0.399334786066E-02 0.302576594858E-02 0.227096439120E-02 0.168787635688E-02
|
||
|
0.124192967481E-02 0.904361765125E-03 0.651524817460E-03 0.464205646537E-03 0.326979504430E-03
|
||
|
0.227611826442E-03 0.156516848538E-03 0.106277687516E-03 0.712288739302E-04 0.470995930954E-04
|
||
|
0.307139347900E-04 0.197431796355E-04 0.125044314748E-04 0.779961784547E-05 0.478891927201E-05
|
||
|
0.289296603235E-05 0.171858725730E-05 0.100345192980E-05 0.575553342215E-06
|
||
|
ae wavefunction
|
||
|
-0.560039161507E-04 -0.591224357571E-04 -0.624079148435E-04 -0.658696650808E-04 -0.695175015008E-04
|
||
|
-0.733617707732E-04 -0.774133810383E-04 -0.816838333803E-04 -0.861852550345E-04 -0.909304344273E-04
|
||
|
-0.959328581539E-04 -0.101206750003E-03 -0.106767112143E-03 -0.112629768600E-03 -0.118811411147E-03
|
||
|
-0.125329647747E-03 -0.132203053697E-03 -0.139451225621E-03 -0.147094838476E-03 -0.155155705740E-03
|
||
|
-0.163656842964E-03 -0.172622534872E-03 -0.182078406225E-03 -0.192051496634E-03 -0.202570339570E-03
|
||
|
-0.213665045798E-03 -0.225367391474E-03 -0.237710911181E-03 -0.250730996169E-03 -0.264464998098E-03
|
||
|
-0.278952338586E-03 -0.294234624883E-03 -0.310355772022E-03 -0.327362131791E-03 -0.345302628913E-03
|
||
|
-0.364228904841E-03 -0.384195469562E-03 -0.405259861875E-03 -0.427482818596E-03 -0.450928453182E-03
|
||
|
-0.475664444284E-03 -0.501762234771E-03 -0.529297241793E-03 -0.558349078478E-03 -0.589001787889E-03
|
||
|
-0.621344089895E-03 -0.655469641647E-03 -0.691477312382E-03 -0.729471473308E-03 -0.769562303365E-03
|
||
|
-0.811866111687E-03 -0.856505677636E-03 -0.903610609308E-03 -0.953317721466E-03 -0.100577143387E-02
|
||
|
-0.106112419104E-02 -0.111953690454E-02 -0.118117941887E-02 -0.124623100211E-02 -0.131488086260E-02
|
||
|
-0.138732869274E-02 -0.146378524141E-02 -0.154447291616E-02 -0.162962641664E-02 -0.171949340062E-02
|
||
|
-0.181433518420E-02 -0.191442747746E-02 -0.202006115736E-02 -0.213154307924E-02 -0.224919692862E-02
|
||
|
-0.237336411494E-02 -0.250440470872E-02 -0.264269842408E-02 -0.278864564800E-02 -0.294266851813E-02
|
||
|
-0.310521205088E-02 -0.327674532119E-02 -0.345776269589E-02 -0.364878512192E-02 -0.385036147122E-02
|
||
|
-0.406306994345E-02 -0.428751952806E-02 -0.452435152691E-02 -0.477424113846E-02 -0.503789910457E-02
|
||
|
-0.531607342052E-02 -0.560955110894E-02 -0.591916005773E-02 -0.624577092207E-02 -0.659029909005E-02
|
||
|
-0.695370671126E-02 -0.733700478707E-02 -0.774125532090E-02 -0.816757352636E-02 -0.861713009020E-02
|
||
|
-0.909115348677E-02 -0.959093233940E-02 -0.101178178238E-01 -0.106732261070E-01 -0.112586408151E-01
|
||
|
-0.118756155211E-01 -0.125257762434E-01 -0.132108239438E-01 -0.139325370130E-01 -0.146927737283E-01
|
||
|
-0.154934746690E-01 -0.163366650696E-01 -0.172244570927E-01 -0.181590519973E-01 -0.191427421783E-01
|
||
|
-0.201779130491E-01 -0.212670447374E-01 -0.224127135585E-01 -0.236175932302E-01 -0.248844557887E-01
|
||
|
-0.262161721582E-01 -0.276157123284E-01 -0.290861450843E-01 -0.306306372299E-01 -0.322524522452E-01
|
||
|
-0.339549483056E-01 -0.357415755912E-01 -0.376158728073E-01 -0.395814628292E-01 -0.416420473810E-01
|
||
|
-0.438014006511E-01 -0.460633617381E-01 -0.484318258186E-01 -0.509107339180E-01 -0.535040611599E-01
|
||
|
-0.562158033643E-01 -0.590499618554E-01 -0.620105263368E-01 -0.651014556834E-01 -0.683266564942E-01
|
||
|
-0.716899592468E-01 -0.751950918875E-01 -0.788456506899E-01 -0.826450682114E-01 -0.865965781758E-01
|
||
|
-0.907031771128E-01 -0.949675825840E-01 -0.993921878344E-01 -0.103979012711E+00 -0.108729650704E+00
|
||
|
-0.113645211970E+00 -0.118726262238E+00 -0.123972757474E+00 -0.129383974265E+00 -0.134958435852E+00
|
||
|
-0.140693833832E+00 -0.146586945548E+00 -0.152633547262E+00 -0.158828323247E+00 -0.165164771014E+00
|
||
|
-0.171635102932E+00 -0.178230144613E+00 -0.184939230512E+00 -0.191750097269E+00 -0.198648775462E+00
|
||
|
-0.205619480525E+00 -0.212644503716E+00 -0.219704104137E+00 -0.226776402931E+00 -0.233837280914E+00
|
||
|
-0.240860281014E+00 -0.247816517035E+00 -0.254674590432E+00 -0.261400516952E+00 -0.267957665277E+00
|
||
|
-0.274306710050E+00 -0.280405602052E+00 -0.286209558610E+00 -0.291671077670E+00 -0.296739979169E+00
|
||
|
-0.301363477557E+00 -0.305486289302E+00 -0.309050779211E+00 -0.311997149290E+00 -0.314263673724E+00
|
||
|
-0.315786983362E+00 -0.316502402917E+00 -0.316344343849E+00 -0.315246755680E+00 -0.313143638172E+00
|
||
|
-0.309969616473E+00 -0.305660580846E+00 -0.300154391986E+00 -0.293391652215E+00 -0.285316541946E+00
|
||
|
-0.275877719787E+00 -0.265029283438E+00 -0.252731787236E+00 -0.238953310637E+00 -0.223670570327E+00
|
||
|
-0.206870066797E+00 -0.188549254336E+00 -0.168717721321E+00 -0.147398365605E+00 -0.124628547638E+00
|
||
|
-0.100461201813E+00 -0.749658844597E-01 -0.482297349022E-01 -0.203583242359E-01 0.852363507832E-02
|
||
|
0.382717468429E-01 0.687215846154E-01 0.996885695317E-01 0.130968099791E+00 0.162335956984E+00
|
||
|
0.193549011662E+00 0.224346247960E+00 0.254450125939E+00 0.283568301325E+00 0.311395725163E+00
|
||
|
0.337617148547E+00 0.361910056071E+00 0.383948041616E+00 0.403404619534E+00 0.419957439428E+00
|
||
|
0.433292854841E+00 0.443110790696E+00 0.449129854037E+00 0.451092628114E+00 0.448771078536E+00
|
||
|
0.441971987485E+00 0.430542321679E+00 0.414374433327E+00 0.393410988827E+00 0.367649515648E+00
|
||
|
0.337146453741E+00 0.302020593944E+00 0.262455783565E+00 0.218702779773E+00 0.171080135380E+00
|
||
|
0.119974010599E+00 0.658368182289E-01 0.918462872152E-02 -0.494067156788E-01 -0.109306802283E+00
|
||
|
-0.169837156372E+00 -0.230278997722E+00 -0.289882102230E+00 -0.347874507575E+00 -0.403472702846E+00
|
||
|
-0.455891987006E+00 -0.504356997717E+00 -0.548112928310E+00 -0.586438121591E+00 -0.618657885027E+00
|
||
|
-0.644158151625E+00 -0.662397615745E+00 -0.672918006920E+00 -0.675352766639E+00 -0.669434290051E+00
|
||
|
-0.654999623473E+00 -0.631994367867E+00 -0.600474559194E+00 -0.560606418861E+00 -0.512664008719E+00
|
||
|
-0.457024930383E+00 -0.394164266548E+00 -0.324646985406E+00 -0.249119034698E+00 -0.168297348668E+00
|
||
|
-0.829589856046E-01 0.607039275786E-02 0.979284937104E-01 0.191728614989E+00 0.286571914100E+00
|
||
|
0.381559525716E+00 0.475804328707E+00 0.568442167527E+00 0.658642335947E+00 0.745617141122E+00
|
||
|
0.828630382732E+00 0.907004622390E+00 0.980127189360E+00 0.104745496734E+01 0.110851810646E+01
|
||
|
0.116292285759E+01 0.121035369573E+01 0.125057479189E+01 0.128343077843E+01 0.130884666768E+01
|
||
|
0.132682679388E+01 0.133745268945E+01 0.134087989467E+01 0.133733375291E+01 0.132710428469E+01
|
||
|
0.131054027791E+01 0.128804271557E+01 0.126005769978E+01 0.122706899745E+01 0.118959035198E+01
|
||
|
0.114815766845E+01 0.110332119042E+01 0.105563775954E+01 0.100566326316E+01 0.953945374413E+00
|
||
|
0.901016705660E+00 0.847388513594E+00 0.793545100801E+00 0.739939048849E+00 0.686987379066E+00
|
||
|
0.635068668620E+00 0.584521062237E+00 0.535641022704E+00 0.488682604596E+00 0.443857054687E+00
|
||
|
0.401332681220E+00 0.361235172300E+00 0.323648753518E+00 0.288618560408E+00 0.256154276212E+00
|
||
|
0.226234632457E+00 0.198812117637E+00 0.173817347148E+00 0.151162860244E+00 0.130746385586E+00
|
||
|
0.112453726751E+00 0.961614112328E-01 0.817391809814E-01 0.690523490340E-01 0.579640138321E-01
|
||
|
0.483371054617E-01 0.400362379796E-01 0.329293476403E-01 0.268891055069E-01 0.217941037885E-01
|
||
|
0.175298224768E-01 0.139893866146E-01 0.110741224967E-01 0.869391970088E-02 0.676740274356E-02
|
||
|
0.522191818347E-02 0.399334786066E-02 0.302576594858E-02 0.227096439120E-02 0.168787635688E-02
|
||
|
0.124192967481E-02 0.904361765125E-03 0.651524817460E-03 0.464205646537E-03 0.326979504430E-03
|
||
|
0.227611826442E-03 0.156516848538E-03 0.106277687516E-03 0.712288739302E-04 0.470995930954E-04
|
||
|
0.307139347900E-04 0.197431796355E-04 0.125044314748E-04 0.779961784547E-05 0.478891927201E-05
|
||
|
0.289296603235E-05 0.171858725730E-05 0.100345192980E-05 0.575553342215E-06
|
||
|
pseudo wavefunction
|
||
|
0.798298733260E-08 0.851060211215E-08 0.907308821775E-08 0.967275037895E-08 0.103120456504E-07
|
||
|
0.109935934793E-07 0.117201864385E-07 0.124948016687E-07 0.133206130768E-07 0.142010043409E-07
|
||
|
0.151395827745E-07 0.161401941072E-07 0.172069382418E-07 0.183441860537E-07 0.195565972999E-07
|
||
|
0.208491397117E-07 0.222271093500E-07 0.236961523048E-07 0.252622878296E-07 0.269319330049E-07
|
||
|
0.287119290315E-07 0.306095692613E-07 0.326326290814E-07 0.347893977727E-07 0.370887124746E-07
|
||
|
0.395399943940E-07 0.421532874080E-07 0.449392992174E-07 0.479094452207E-07 0.510758952869E-07
|
||
|
0.544516236210E-07 0.580504619240E-07 0.618871560671E-07 0.659774265110E-07 0.703380327192E-07
|
||
|
0.749868418280E-07 0.799429018551E-07 0.852265197472E-07 0.908593445850E-07 0.968644562885E-07
|
||
|
0.103266460184E-06 0.110091587823E-06 0.117367804461E-06 0.125124923645E-06 0.133394729368E-06
|
||
|
0.142211106302E-06 0.151610178640E-06 0.161630458104E-06 0.172313001749E-06 0.183701580185E-06
|
||
|
0.195842856927E-06 0.208786579588E-06 0.222585783719E-06 0.237297010115E-06 0.252980536481E-06
|
||
|
0.269700624419E-06 0.287525782727E-06 0.306529048108E-06 0.326788284431E-06 0.348386501767E-06
|
||
|
0.371412196513E-06 0.395959713995E-06 0.422129635039E-06 0.450029188083E-06 0.479772688540E-06
|
||
|
0.511482007184E-06 0.545287069504E-06 0.581326388055E-06 0.619747629995E-06 0.660708222134E-06
|
||
|
0.704375995965E-06 0.750929875334E-06 0.800560609554E-06 0.853471554973E-06 0.909879508196E-06
|
||
|
0.970015594381E-06 0.103412621424E-05 0.110247405360E-05 0.117533915979E-05 0.125302008900E-05
|
||
|
0.133583512961E-05 0.142412360634E-05 0.151824727054E-05 0.161859178241E-05 0.172556829119E-05
|
||
|
0.183961511975E-05 0.196119956053E-05 0.209081979017E-05 0.222900691073E-05 0.237632712569E-05
|
||
|
0.253338405993E-05 0.270082123286E-05 0.287932469516E-05 0.306962583965E-05 0.327250439802E-05
|
||
|
0.348879163552E-05 0.371937375691E-05 0.396519553737E-05 0.422726419346E-05 0.450665350983E-05
|
||
|
0.480450823877E-05 0.512204879035E-05 0.546057623268E-05 0.582147762251E-05 0.620623168813E-05
|
||
|
0.661641488788E-05 0.705370786898E-05 0.751990235318E-05 0.801690847753E-05 0.854676262014E-05
|
||
|
0.911163574318E-05 0.971384228717E-05 0.103558496530E-04 0.110402883105E-04 0.117699625753E-04
|
||
|
0.125478620972E-04 0.133771741083E-04 0.142612964800E-04 0.152038516432E-04 0.162087014278E-04
|
||
|
0.172799628832E-04 0.184220251438E-04 0.196395674086E-04 0.209375781098E-04 0.223213753462E-04
|
||
|
0.237966286683E-04 0.253693823013E-04 0.270460799033E-04 0.288335909585E-04 0.307392389139E-04
|
||
|
0.327708311755E-04 0.349366910849E-04 0.372456920085E-04 0.397072936788E-04 0.423315809355E-04
|
||
|
0.451293050250E-04 0.481119276285E-04 0.512916677964E-04 0.546815519832E-04 0.582954673858E-04
|
||
|
0.621482188036E-04 0.662555892528E-04 0.706344045828E-04 0.753026023577E-04 0.802793052854E-04
|
||
|
0.855848994921E-04 0.912411179648E-04 0.972711294980E-04 0.103699633512E-03 0.110552961125E-03
|
||
|
0.117859182894E-03 0.125648223666E-03 0.133951984995E-03 0.142804475644E-03 0.152241950681E-03
|
||
|
0.162303059753E-03 0.173029005128E-03 0.184463710154E-03 0.196653998822E-03 0.209649787150E-03
|
||
|
0.223504287179E-03 0.238274224398E-03 0.254020069484E-03 0.270806285293E-03 0.288701590101E-03
|
||
|
0.307779238163E-03 0.328117318715E-03 0.349799074637E-03 0.372913242046E-03 0.397554412205E-03
|
||
|
0.423823417181E-03 0.451827740826E-03 0.481681956703E-03 0.513508194738E-03 0.547436638436E-03
|
||
|
0.583606054670E-03 0.622164358142E-03 0.663269212760E-03 0.707088672328E-03 0.753801863074E-03
|
||
|
0.803599710730E-03 0.856685715007E-03 0.913276774541E-03 0.973604065515E-03 0.103791397741E-02
|
||
|
0.110646910952E-02 0.117954933214E-02 0.125745291642E-02 0.134049773744E-02 0.142902255487E-02
|
||
|
0.152338837636E-02 0.162397990861E-02 0.173120710183E-02 0.184550679316E-02 0.196734445546E-02
|
||
|
0.209721605770E-02 0.223565004399E-02 0.238320943841E-02 0.254049408333E-02 0.270814301919E-02
|
||
|
0.288683701432E-02 0.307730125368E-02 0.328030819582E-02 0.349668060807E-02 0.372729479014E-02
|
||
|
0.397308399699E-02 0.423504207228E-02 0.451422730421E-02 0.481176651597E-02 0.512885940364E-02
|
||
|
0.546678313482E-02 0.582689722154E-02 0.621064868186E-02 0.661957750441E-02 0.705532243101E-02
|
||
|
0.751962707239E-02 0.801434637257E-02 0.854145343729E-02 0.910304674222E-02 0.970135773639E-02
|
||
|
0.103387588560E-01 0.110177719634E-01 0.117410772256E-01 0.125115224452E-01 0.133321328555E-01
|
||
|
0.142061213916E-01 0.151368994435E-01 0.161280880999E-01 0.171835298838E-01 0.183073009800E-01
|
||
|
0.195037239496E-01 0.207773809212E-01 0.221331272426E-01 0.235761055702E-01 0.251117603625E-01
|
||
|
0.267458527388E-01 0.284844756471E-01 0.303340692772E-01 0.323014366365E-01 0.343937591898E-01
|
||
|
0.366186124443E-01 0.389839813377E-01 0.414982752619E-01 0.441703425247E-01 0.470094840179E-01
|
||
|
0.500254658237E-01 0.532285304466E-01 0.566294063117E-01 0.602393151141E-01 0.640699765479E-01
|
||
|
0.681336098699E-01 0.724429316857E-01 0.770111492571E-01 0.818519485432E-01 0.869794760858E-01
|
||
|
0.924083137408E-01 0.981534451408E-01 0.104230212643E+00 0.110654263384E+00 0.117441482913E+00
|
||
|
0.124607914724E+00 0.132169663853E+00 0.140142782523E+00 0.148543135684E+00 0.157386244103E+00
|
||
|
0.166687102528E+00 0.176459970282E+00 0.186718131551E+00 0.197473622525E+00 0.208736922515E+00
|
||
|
0.220516606186E+00 0.232818954162E+00 0.245647519419E+00 0.259002647285E+00 0.272880947286E+00
|
||
|
0.287274715828E+00 0.302171309632E+00 0.317552471061E+00 0.333393608081E+00 0.349663033605E+00
|
||
|
0.366321171441E+00 0.383319739129E+00 0.400600921631E+00 0.418096554247E+00 0.435727338335E+00
|
||
|
0.453402119473E+00 0.471017264700E+00 0.488456183365E+00 0.505589045038E+00 0.522272757584E+00
|
||
|
0.538351278997E+00 0.553656347481E+00 0.568008725237E+00 0.581220061954E+00 0.593095493238E+00
|
||
|
0.603437096195E+00 0.612048327725E+00 0.618739569024E+00 0.623334890331E+00 0.625680130341E+00
|
||
|
0.625652352074E+00 0.623170687769E+00 0.618208515755E+00 0.610806818278E+00 0.601088446902E+00
|
||
|
0.589272867904E+00 0.575690771709E+00 0.560797707248E+00 0.545185646722E+00 0.529591105360E+00
|
||
|
0.514898147226E+00 0.502134322598E+00 0.492457335621E+00 0.487130075368E+00 0.487481615269E+00
|
||
|
0.494851965364E+00 0.510519476329E+00 0.535738958959E+00 0.572068994641E+00 0.621493023994E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
-0.507427915504E-04 -0.535683508337E-04 -0.565451850748E-04 -0.596817311866E-04 -0.629868821560E-04
|
||
|
-0.664700126649E-04 -0.701410061198E-04 -0.740102831689E-04 -0.780888317894E-04 -0.823882390361E-04
|
||
|
-0.869207245450E-04 -0.916991758917E-04 -0.967371859106E-04 -0.102049092085E-03 -0.107650018127E-03
|
||
|
-0.113555917871E-03 -0.119783621612E-03 -0.126350885026E-03 -0.133276440821E-03 -0.140580053271E-03
|
||
|
-0.148282575798E-03 -0.156406011769E-03 -0.164973578700E-03 -0.174009776044E-03 -0.183540456781E-03
|
||
|
-0.193592903005E-03 -0.204195905755E-03 -0.215379849304E-03 -0.227176800175E-03 -0.239620601136E-03
|
||
|
-0.252746970455E-03 -0.266593606712E-03 -0.281200299469E-03 -0.296609046130E-03 -0.312864175330E-03
|
||
|
-0.330012477216E-03 -0.348103340994E-03 -0.367188900150E-03 -0.387324185757E-03 -0.408567288322E-03
|
||
|
-0.430979528625E-03 -0.454625638044E-03 -0.479573948888E-03 -0.505896595265E-03 -0.533669725060E-03
|
||
|
-0.562973723616E-03 -0.593893449741E-03 -0.626518484696E-03 -0.660943394845E-03 -0.697268008697E-03
|
||
|
-0.735597709069E-03 -0.776043741186E-03 -0.818723537498E-03 -0.863761060116E-03 -0.911287161718E-03
|
||
|
-0.961439965888E-03 -0.101436526784E-02 -0.107021695654E-02 -0.112915745929E-02 -0.119135820981E-02
|
||
|
-0.125700014101E-02 -0.132627420363E-02 -0.139938191182E-02 -0.147653591710E-02 -0.155796061179E-02
|
||
|
-0.164389276347E-02 -0.173458218151E-02 -0.183029241733E-02 -0.193130149973E-02 -0.203790270663E-02
|
||
|
-0.215040537483E-02 -0.226913574920E-02 -0.239443787284E-02 -0.252667451966E-02 -0.266622817101E-02
|
||
|
-0.281350203767E-02 -0.296892112891E-02 -0.313293336990E-02 -0.330601076902E-02 -0.348865063627E-02
|
||
|
-0.368137685433E-02 -0.388474120327E-02 -0.409932474009E-02 -0.432573923410E-02 -0.456462865907E-02
|
||
|
-0.481667074257E-02 -0.508257857327E-02 -0.536310226621E-02 -0.565903068613E-02 -0.597119322848E-02
|
||
|
-0.630046165741E-02 -0.664775199974E-02 -0.701402649321E-02 -0.740029558718E-02 -0.780761999307E-02
|
||
|
-0.823711278135E-02 -0.868994152114E-02 -0.916733045780E-02 -0.967056272288E-02 -0.102009825700E-01
|
||
|
-0.107599976288E-01 -0.113490811693E-01 -0.119697743646E-01 -0.126236885434E-01 -0.133125074167E-01
|
||
|
-0.140379892663E-01 -0.148019690770E-01 -0.156063605961E-01 -0.164531582981E-01 -0.173444392323E-01
|
||
|
-0.182823647295E-01 -0.192691819375E-01 -0.203072251566E-01 -0.213989169408E-01 -0.225467689271E-01
|
||
|
-0.237533823524E-01 -0.250214482138E-01 -0.263537470243E-01 -0.277531481098E-01 -0.292226083920E-01
|
||
|
-0.307651705942E-01 -0.323839608040E-01 -0.340821853203E-01 -0.358631267079E-01 -0.377301389766E-01
|
||
|
-0.396866417963E-01 -0.417361136534E-01 -0.438820838488E-01 -0.461281232294E-01 -0.484778335428E-01
|
||
|
-0.509348352943E-01 -0.535027539829E-01 -0.561852045856E-01 -0.589857741548E-01 -0.619080023863E-01
|
||
|
-0.649553600151E-01 -0.681312248871E-01 -0.714388555567E-01 -0.748813622541E-01 -0.784616750687E-01
|
||
|
-0.821825091931E-01 -0.860463270752E-01 -0.900552973311E-01 -0.942112502761E-01 -0.985156299420E-01
|
||
|
-0.102969442459E+00 -0.107573200694E+00 -0.112326865066E+00 -0.117229780464E+00 -0.122280609236E+00
|
||
|
-0.127477260246E+00 -0.132816814028E+00 -0.138295444121E+00 -0.143908334704E+00 -0.149649594722E+00
|
||
|
-0.155512168762E+00 -0.161487744983E+00 -0.167566660523E+00 -0.173737804871E+00 -0.179988521788E+00
|
||
|
-0.186304510478E+00 -0.192669726802E+00 -0.199066285442E+00 -0.205474364047E+00 -0.211872110479E+00
|
||
|
-0.218235554420E+00 -0.224538524711E+00 -0.230752573943E+00 -0.236846911996E+00 -0.242788350435E+00
|
||
|
-0.248541259956E+00 -0.254067543356E+00 -0.259326626840E+00 -0.264275472756E+00 -0.268868617081E+00
|
||
|
-0.273058235110E+00 -0.276794238845E+00 -0.280024409554E+00 -0.282694568862E+00 -0.284748791629E+00
|
||
|
-0.286129663671E+00 -0.286778587248E+00 -0.286636136992E+00 -0.285642468763E+00 -0.283737783659E+00
|
||
|
-0.280862849059E+00 -0.276959578175E+00 -0.271971669021E+00 -0.265845303063E+00 -0.258529902999E+00
|
||
|
-0.249978948179E+00 -0.240150845110E+00 -0.229009849264E+00 -0.216527033041E+00 -0.202681293236E+00
|
||
|
-0.187460389739E+00 -0.170862005436E+00 -0.152894815438E+00 -0.133579551860E+00 -0.112950048434E+00
|
||
|
-0.910542472621E-01 -0.679551481850E-01 -0.437316793894E-01 -0.184794663027E-01 0.768852559646E-02
|
||
|
0.346414994472E-01 0.622305130982E-01 0.902883684053E-01 0.118629728487E+00 0.147051485746E+00
|
||
|
0.175333400928E+00 0.203239031173E+00 0.230516963937E+00 0.256902374608E+00 0.282118928211E+00
|
||
|
0.305881047956E+00 0.327896572070E+00 0.347869811220E+00 0.365505000227E+00 0.380510115273E+00
|
||
|
0.392601011546E+00 0.401505831382E+00 0.406969632644E+00 0.408759183014E+00 0.406667855667E+00
|
||
|
0.400520550199E+00 0.390178553409E+00 0.375544248677E+00 0.356565578630E+00 0.333240161879E+00
|
||
|
0.305618960944E+00 0.273809394941E+00 0.237977788569E+00 0.198351049360E+00 0.155217468722E+00
|
||
|
0.108926550492E+00 0.598877832576E-01 0.856828995688E-02 -0.445106911571E-01 -0.987785163141E-01
|
||
|
-0.153621029050E+00 -0.208387582545E+00 -0.262399061877E+00 -0.314956669622E+00 -0.365351148514E+00
|
||
|
-0.412872155495E+00 -0.456817788214E+00 -0.496504732802E+00 -0.531279656950E+00 -0.560531708104E+00
|
||
|
-0.583704871046E+00 -0.600308943151E+00 -0.609928821910E+00 -0.612232344771E+00 -0.606976828322E+00
|
||
|
-0.594014208312E+00 -0.573294554481E+00 -0.544867752872E+00 -0.508883259019E+00 -0.465587953390E+00
|
||
|
-0.415322225908E+00 -0.358514468846E+00 -0.295674178698E+00 -0.227383872539E+00 -0.154290021431E+00
|
||
|
-0.770931983779E-01 0.346236753201E-02 0.865996437355E-01 0.171519869588E+00 0.257413672366E+00
|
||
|
0.343472042886E+00 0.428896991098E+00 0.512911704981E+00 0.594770039090E+00 0.673765168220E+00
|
||
|
0.749237256869E+00 0.820580031733E+00 0.887246208688E+00 0.948751815138E+00 0.100467953901E+01
|
||
|
0.105468128422E+01 0.109848008572E+01 0.113587144103E+01 0.116672401149E+01 0.119097956996E+01
|
||
|
0.120865208089E+01 0.121982583575E+01 0.122465264728E+01 0.122334815429E+01 0.121618732699E+01
|
||
|
0.120349930372E+01 0.118566167636E+01 0.116309437734E+01 0.113625329228E+01 0.110562374162E+01
|
||
|
0.107171394321E+01 0.103504858037E+01 0.996162578215E+00 0.955595208358E+00 0.913884646234E+00
|
||
|
0.871563127911E+00 0.829152879639E+00 0.787163014075E+00 0.746087594746E+00 0.706405074774E+00
|
||
|
0.668579248664E+00 0.633061857057E+00 0.600296885966E+00 0.570726601490E+00 0.544799402183E+00
|
||
|
0.522979761391E+00 0.505760879072E+00 0.493681117541E+00 0.487345671903E+00 0.487455081066E+00
|
||
|
0.494842203467E+00 0.510519476329E+00 0.535738958959E+00 0.572068994641E+00 0.621493023994E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
pseudo wavefunction
|
||
|
0.620381791815E-12 0.682890880259E-12 0.751698325908E-12 0.827438745332E-12 0.910810698472E-12
|
||
|
0.100258313151E-11 0.110360246893E-11 0.121480042015E-11 0.133720257276E-11 0.147193785158E-11
|
||
|
0.162024893084E-11 0.178350369547E-11 0.196320785718E-11 0.216101884181E-11 0.237876107584E-11
|
||
|
0.261844281325E-11 0.288227465783E-11 0.317268995171E-11 0.349236721827E-11 0.384425486642E-11
|
||
|
0.423159838396E-11 0.465797027097E-11 0.512730298930E-11 0.564392523195E-11 0.621260184692E-11
|
||
|
0.683857778383E-11 0.752762646846E-11 0.828610305154E-11 0.912100302277E-11 0.100400267308E-10
|
||
|
0.110516504040E-10 0.121652043278E-10 0.133909588981E-10 0.147402193461E-10 0.162254300077E-10
|
||
|
0.178602890979E-10 0.196598750510E-10 0.216407855901E-10 0.238212908090E-10 0.262215016787E-10
|
||
|
0.288635555325E-10 0.317718202402E-10 0.349731189548E-10 0.384969775048E-10 0.423758967126E-10
|
||
|
0.466456521522E-10 0.513456241102E-10 0.565191607928E-10 0.622139781295E-10 0.684825998608E-10
|
||
|
0.753828419684E-10 0.829783459159E-10 0.913391656189E-10 0.100542413557E-09 0.110672971987E-09
|
||
|
0.121824275821E-09 0.134099174377E-09 0.147610879970E-09 0.162484012078E-09 0.178855746710E-09
|
||
|
0.196877081593E-09 0.216714228834E-09 0.238550147905E-09 0.262586233087E-09 0.289044170944E-09
|
||
|
0.318167984952E-09 0.350226286139E-09 0.385514750502E-09 0.424358846045E-09 0.467116834583E-09
|
||
|
0.514183076013E-09 0.565991665517E-09 0.623020437238E-09 0.685795371368E-09 0.754895445291E-09
|
||
|
0.830957973510E-09 0.914684485626E-09 0.100684719657E-08 0.110829612878E-08 0.121996695195E-08
|
||
|
0.134288961279E-08 0.147819783418E-08 0.162713957160E-08 0.179108852299E-08 0.197155679837E-08
|
||
|
0.217020886609E-08 0.238887690421E-08 0.262957769866E-08 0.289453124405E-08 0.318618121864E-08
|
||
|
0.350721752237E-08 0.386060108568E-08 0.424959117814E-08 0.467777546852E-08 0.514910311367E-08
|
||
|
0.566792118141E-08 0.623901474322E-08 0.686765100662E-08 0.755962789411E-08 0.832132751691E-08
|
||
|
0.915977503646E-08 0.100827034566E-07 0.110986249441E-07 0.122169093349E-07 0.134478705510E-07
|
||
|
0.148028617233E-07 0.162943798998E-07 0.179361813030E-07 0.197434082002E-07 0.217327285569E-07
|
||
|
0.239224897607E-07 0.263328878339E-07 0.289861536945E-07 0.319067581843E-07 0.351216377540E-07
|
||
|
0.386604428872E-07 0.425558115531E-07 0.468436702113E-07 0.515635651425E-07 0.567590271621E-07
|
||
|
0.624779730788E-07 0.687731476002E-07 0.757026097607E-07 0.833302683573E-07 0.917264713288E-07
|
||
|
0.100968654515E-06 0.111142055776E-06 0.122340501058E-06 0.134667269651E-06 0.148236046614E-06
|
||
|
0.163171971159E-06 0.179612790648E-06 0.197710130842E-06 0.217630894123E-06 0.239558798573E-06
|
||
|
0.263696072090E-06 0.290265317169E-06 0.319511563539E-06 0.351704527559E-06 0.387141099218E-06
|
||
|
0.426148079648E-06 0.469085194385E-06 0.516348410149E-06 0.568373585701E-06 0.625640490428E-06
|
||
|
0.688677227678E-06 0.758065103606E-06 0.834443986381E-06 0.918518205129E-06 0.101106304296E-05
|
||
|
0.111293188386E-05 0.122506407931E-05 0.134849360705E-05 0.148435860173E-05 0.163391184519E-05
|
||
|
0.179853231296E-05 0.197973788331E-05 0.217919932570E-05 0.239875569754E-05 0.264043129075E-05
|
||
|
0.290645428417E-05 0.319927727338E-05 0.352159986662E-05 0.387639355475E-05 0.426692908379E-05
|
||
|
0.469680658166E-05 0.516998871592E-05 0.569083718728E-05 0.626415289387E-05 0.689522013519E-05
|
||
|
0.758985526147E-05 0.835446021493E-05 0.919608145397E-05 0.101224748008E-04 0.111421768071E-04
|
||
|
0.122645832907E-04 0.135000357642E-04 0.148599165456E-04 0.163567534210E-04 0.180043348182E-04
|
||
|
0.198178365414E-04 0.218139612275E-04 0.240110917947E-04 0.264294602850E-04 0.290913336387E-04
|
||
|
0.320212180936E-04 0.352460840691E-04 0.387956135806E-04 0.427024724313E-04 0.470026096513E-04
|
||
|
0.517355869009E-04 0.569449408178E-04 0.626785815878E-04 0.689892313380E-04 0.759349063073E-04
|
||
|
0.835794471352E-04 0.919931020393E-04 0.101253168115E-03 0.111444696502E-03 0.122661267728E-03
|
||
|
0.135005844143E-03 0.148591707035E-03 0.163543486760E-03 0.179998294990E-03 0.198106969116E-03
|
||
|
0.218035439734E-03 0.239966233251E-03 0.264100122735E-03 0.290657941435E-03 0.319882574697E-03
|
||
|
0.352041147521E-03 0.387427426595E-03 0.426364457397E-03 0.469207458838E-03 0.516347000010E-03
|
||
|
0.568212485801E-03 0.625275980572E-03 0.688056401715E-03 0.757124117689E-03 0.833105988222E-03
|
||
|
0.916690887580E-03 0.100863575534E-02 0.110977222284E-02 0.122101386755E-02 0.134336415171E-02
|
||
|
0.147792510637E-02 0.162590682649E-02 0.178863784811E-02 0.196757648349E-02 0.216432319622E-02
|
||
|
0.238063410337E-02 0.261843569819E-02 0.287984089264E-02 0.316716648489E-02 0.348295216346E-02
|
||
|
0.382998116488E-02 0.421130270781E-02 0.463025633161E-02 0.509049827147E-02 0.559603000634E-02
|
||
|
0.615122911785E-02 0.676088259944E-02 0.743022275378E-02 0.816496581288E-02 0.897135340861E-02
|
||
|
0.985619701095E-02 0.108269254363E-01 0.118916355070E-01 0.130591459175E-01 0.143390543246E-01
|
||
|
0.157417976386E-01 0.172787154323E-01 0.189621163190E-01 0.208053470668E-01 0.228228641128E-01
|
||
|
0.250303070220E-01 0.274445732893E-01 0.300838937120E-01 0.329679073588E-01 0.361177349258E-01
|
||
|
0.395560489969E-01 0.433071394108E-01 0.473969715751E-01 0.518532351569E-01 0.567053801124E-01
|
||
|
0.619846364962E-01 0.677240139101E-01 0.739582758060E-01 0.807238831618E-01 0.880589012895E-01
|
||
|
0.960028627365E-01 0.104596578403E+00 0.113881888143E+00 0.123901341287E+00 0.134697796698E+00
|
||
|
0.146313931306E+00 0.158791645484E+00 0.172171353307E+00 0.186491145761E+00 0.201785815371E+00
|
||
|
0.218085731799E+00 0.235415559669E+00 0.253792812668E+00 0.273226241804E+00 0.293714061024E+00
|
||
|
0.315242020362E+00 0.337781345678E+00 0.361286575222E+00 0.385693336771E+00 0.410916125334E+00
|
||
|
0.436846160242E+00 0.463349421949E+00 0.490264992506E+00 0.517403848965E+00 0.544548284633E+00
|
||
|
0.571452157507E+00 0.597842185968E+00 0.623420525567E+00 0.647868863266E+00 0.670854251438E+00
|
||
|
0.692036866747E+00 0.711079811303E+00 0.727660966897E+00 0.741486759243E+00 0.752307480379E+00
|
||
|
0.759933548017E+00 0.764251749329E+00 0.765240128824E+00 0.762979751072E+00 0.757661129026E+00
|
||
|
0.749582705971E+00 0.739138485387E+00 0.726791816292E+00 0.713032587601E+00 0.698315813898E+00
|
||
|
0.682980971612E+00 0.667153634904E+00 0.650777656770E+00 0.633856764005E+00 0.616412733301E+00
|
||
|
0.598469882225E+00 0.580056164974E+00 0.561204222577E+00 0.541952153635E+00 0.522344250686E+00
|
||
|
0.502431658852E+00 0.482272721957E+00 0.461932984270E+00 0.441484649625E+00 0.421005359113E+00
|
||
|
0.400576344561E+00 0.380280044875E+00 0.360197448688E+00 0.340405471564E+00 0.320974683621E+00
|
||
|
0.301967612609E+00 0.283437755301E+00 0.265429316345E+00 0.247977603900E+00 0.231109948118E+00
|
||
|
0.214846972051E+00 0.199204030213E+00 0.184192635745E+00 0.169821722282E+00 0.156098596120E+00
|
||
|
0.143029539035E+00 0.130620027214E+00 0.118874593887E+00 0.107796428394E+00 0.973868148883E-01
|
||
|
0.876445229017E-01 0.785652494297E-01 0.701411873514E-01 0.623607652482E-01 0.552085750934E-01
|
||
|
0.486654809609E-01 0.427088855668E-01 0.373131220733E-01 0.324499350427E-01
|
||
|
ae wavefunction
|
||
|
0.148500542024E-07 0.161856014804E-07 0.176342416993E-07 0.192061308989E-07 0.209122952558E-07
|
||
|
0.227647094707E-07 0.247763819762E-07 0.269614475822E-07 0.293352682324E-07 0.319145426082E-07
|
||
|
0.347174253783E-07 0.377636569691E-07 0.410747048039E-07 0.446739170473E-07 0.485866899848E-07
|
||
|
0.528406502691E-07 0.574658533743E-07 0.624949997236E-07 0.679636700855E-07 0.739105819837E-07
|
||
|
0.803778690159E-07 0.874113851596E-07 0.950610363216E-07 0.103381141603E-06 0.112430826967E-06
|
||
|
0.122274454259E-06 0.132982088766E-06 0.144630008838E-06 0.157301261376E-06 0.171086267356E-06
|
||
|
0.186083481954E-06 0.202400114224E-06 0.220152911760E-06 0.239469016270E-06 0.260486896508E-06
|
||
|
0.283357365652E-06 0.308244690801E-06 0.335327803039E-06 0.364801617226E-06 0.396878471580E-06
|
||
|
0.431789697984E-06 0.469787334994E-06 0.511145996625E-06 0.556164911165E-06 0.605170145631E-06
|
||
|
0.658517032859E-06 0.716592819839E-06 0.779819557589E-06 0.848657254724E-06 0.923607318955E-06
|
||
|
0.100521631293E-05 0.109408005334E-05 0.119084808468E-05 0.129622856236E-05 0.141099358239E-05
|
||
|
0.153598499905E-05 0.167212077504E-05 0.182040191330E-05 0.198192002364E-05 0.215786558270E-05
|
||
|
0.234953695075E-05 0.255835021474E-05 0.278584993351E-05 0.303372086763E-05 0.330380078437E-05
|
||
|
0.359809443592E-05 0.391878881849E-05 0.426826982908E-05 0.464914044792E-05 0.506424058546E-05
|
||
|
0.551666874595E-05 0.600980567286E-05 0.654734015635E-05 0.713329719939E-05 0.777206875629E-05
|
||
|
0.846844727666E-05 0.922766230863E-05 0.100554204374E-04 0.109579488599E-04 0.119420429219E-04
|
||
|
0.130151179751E-04 0.141852659383E-04 0.154613169863E-04 0.168529068208E-04 0.183705500224E-04
|
||
|
0.200257200208E-04 0.218309362704E-04 0.237998592657E-04 0.259473940858E-04 0.282898032168E-04
|
||
|
0.308448294602E-04 0.336318298071E-04 0.366719212266E-04 0.399881393994E-04 0.436056115073E-04
|
||
|
0.475517442837E-04 0.518564286233E-04 0.565522621567E-04 0.616747913036E-04 0.672627744397E-04
|
||
|
0.733584679368E-04 0.800079369745E-04 0.872613931615E-04 0.951735611633E-04 0.103804076690E-03
|
||
|
0.113217918376E-03 0.123485876262E-03 0.134685059786E-03 0.146899448386E-03 0.160220488045E-03
|
||
|
0.174747737309E-03 0.190589566572E-03 0.207863914640E-03 0.226699106848E-03 0.247234739278E-03
|
||
|
0.269622633867E-03 0.294027869495E-03 0.320629894427E-03 0.349623725720E-03 0.381221241572E-03
|
||
|
0.415652572787E-03 0.453167599879E-03 0.494037562566E-03 0.538556788672E-03 0.587044549726E-03
|
||
|
0.639847050701E-03 0.697339561600E-03 0.759928698680E-03 0.828054863240E-03 0.902194845953E-03
|
||
|
0.982864604670E-03 0.107062222356E-02 0.116607106124E-02 0.126986309519E-02 0.138270246950E-02
|
||
|
0.150534925213E-02 0.163862340741E-02 0.178340898834E-02 0.194065855235E-02 0.211139780247E-02
|
||
|
0.229673045443E-02 0.249784332826E-02 0.271601166036E-02 0.295260462970E-02 0.320909108829E-02
|
||
|
0.348704548291E-02 0.378815395060E-02 0.411422056603E-02 0.446717371367E-02 0.484907255150E-02
|
||
|
0.526211352680E-02 0.570863689704E-02 0.619113320078E-02 0.671224961475E-02 0.727479612327E-02
|
||
|
0.788175141570E-02 0.853626841592E-02 0.924167933545E-02 0.100015001281E-01 0.108194342100E-01
|
||
|
0.116993752923E-01 0.126454091591E-01 0.136618142025E-01 0.147530605084E-01 0.159238072655E-01
|
||
|
0.171788982452E-01 0.185233550745E-01 0.199623679993E-01 0.215012838051E-01 0.231455905422E-01
|
||
|
0.249008986802E-01 0.267729183075E-01 0.287674319881E-01 0.308902628933E-01 0.331472378350E-01
|
||
|
0.355441448388E-01 0.380866849022E-01 0.407804175907E-01 0.436307001295E-01 0.466426196597E-01
|
||
|
0.498209183364E-01 0.531699109725E-01 0.566933949634E-01 0.603945522774E-01 0.642758433728E-01
|
||
|
0.683388929887E-01 0.725843678759E-01 0.770118466586E-01 0.816196821756E-01 0.864048568156E-01
|
||
|
0.913628315576E-01 0.964873896385E-01 0.101770476008E+00 0.107202033983E+00 0.112769840796E+00
|
||
|
0.118459344000E+00 0.124253501031E+00 0.130132624489E+00 0.136074236062E+00 0.142052932276E+00
|
||
|
0.148040265588E+00 0.154004644594E+00 0.159911257372E+00 0.165722022184E+00 0.171395569858E+00
|
||
|
0.176887262183E+00 0.182149250440E+00 0.187130577815E+00 0.191777328839E+00 0.196032828390E+00
|
||
|
0.199837892465E+00 0.203131133316E+00 0.205849322917E+00 0.207927820897E+00 0.209301075307E+00
|
||
|
0.209903205603E+00 0.209668675538E+00 0.208533058055E+00 0.206433885575E+00 0.203311571509E+00
|
||
|
0.199110386700E+00 0.193779478002E+00 0.187273919911E+00 0.179555790428E+00 0.170595259328E+00
|
||
|
0.160371673773E+00 0.148874624102E+00 0.136104971815E+00 0.122075821118E+00 0.106813414326E+00
|
||
|
0.903579299536E-01 0.727641606533E-01 0.541020467243E-01 0.344570401243E-01 0.139302739733E-01
|
||
|
-0.736148617929E-02 -0.292861306521E-01 -0.516967513975E-01 -0.744324590540E-01 -0.973194800986E-01
|
||
|
-0.120172534901E+00 -0.142796481357E+00 -0.164988178375E+00 -0.186538480948E+00 -0.207234249651E+00
|
||
|
-0.226860295379E+00 -0.245201333311E+00 -0.262044245797E+00 -0.277181006639E+00 -0.290412220859E+00
|
||
|
-0.301550703382E+00 -0.310424560606E+00 -0.316879714787E+00 -0.320782063403E+00 -0.322019399360E+00
|
||
|
-0.320503082952E+00 -0.316169381590E+00 -0.308980388221E+00 -0.298924468707E+00 -0.286016237467E+00
|
||
|
-0.270296096382E+00 -0.251829389059E+00 -0.230705226353E+00 -0.207035036423E+00 -0.180950887314E+00
|
||
|
-0.152603624713E+00 -0.122160862526E+00 -0.898048601862E-01 -0.557303182895E-01 -0.201421232482E-01
|
||
|
0.167469277340E-01 0.547183887234E-01 0.935503791547E-01 0.133019712136E+00 0.172903896163E+00
|
||
|
0.212982968141E+00 0.253041120136E+00 0.292868098239E+00 0.332260381372E+00 0.371022185239E+00
|
||
|
0.408966365753E+00 0.445915299225E+00 0.481701787270E+00 0.516169990325E+00 0.549176350572E+00
|
||
|
0.580590450699E+00 0.610295754399E+00 0.638190196686E+00 0.664186606183E+00 0.688212954068E+00
|
||
|
0.710212442236E+00 0.730143434699E+00 0.747979254711E+00 0.763707853857E+00 0.777331369682E+00
|
||
|
0.788865568136E+00 0.798339171509E+00 0.805793054304E+00 0.811279296148E+00 0.814860080968E+00
|
||
|
0.816606448219E+00 0.816596929226E+00 0.814916131715E+00 0.811653359770E+00 0.806901377669E+00
|
||
|
0.800755362382E+00 0.793312065118E+00 0.784669030971E+00 0.774923605841E+00 0.764171361596E+00
|
||
|
0.752503665235E+00 0.740004482873E+00 0.726747088744E+00 0.712791775333E+00 0.698185512712E+00
|
||
|
0.682963745759E+00 0.667153634904E+00 0.650777656770E+00 0.633856764005E+00 0.616412733301E+00
|
||
|
0.598469882225E+00 0.580056164974E+00 0.561204222577E+00 0.541952153635E+00 0.522344250686E+00
|
||
|
0.502431658852E+00 0.482272721957E+00 0.461932984270E+00 0.441484649625E+00 0.421005359113E+00
|
||
|
0.400576344561E+00 0.380280044875E+00 0.360197448688E+00 0.340405471564E+00 0.320974683621E+00
|
||
|
0.301967612609E+00 0.283437755301E+00 0.265429316345E+00 0.247977603900E+00 0.231109948118E+00
|
||
|
0.214846972051E+00 0.199204030213E+00 0.184192635745E+00 0.169821722282E+00 0.156098596120E+00
|
||
|
0.143029539035E+00 0.130620027214E+00 0.118874593887E+00 0.107796428394E+00 0.973868148883E-01
|
||
|
0.876445229017E-01 0.785652494297E-01 0.701411873514E-01 0.623607652482E-01 0.552085750934E-01
|
||
|
0.486654809609E-01 0.427088855668E-01 0.373131220733E-01 0.324499350427E-01
|
||
|
pseudo wavefunction
|
||
|
0.882177867773E-12 0.971065283676E-12 0.106890891235E-11 0.117661117340E-11 0.129516541338E-11
|
||
|
0.142566506752E-11 0.156931374456E-11 0.172743632771E-11 0.190149119419E-11 0.209308366592E-11
|
||
|
0.230398081556E-11 0.253612776436E-11 0.279166562215E-11 0.307295123496E-11 0.338257892245E-11
|
||
|
0.372340440546E-11 0.409857114458E-11 0.451153933255E-11 0.496611780785E-11 0.546649918397E-11
|
||
|
0.601729851816E-11 0.662359587652E-11 0.729098318780E-11 0.802561581824E-11 0.883426934296E-11
|
||
|
0.972440203765E-11 0.107042236668E-10 0.117827712031E-10 0.129699921759E-10 0.142768364184E-10
|
||
|
0.157153570585E-10 0.172988216859E-10 0.190418347201E-10 0.209604721079E-10 0.230724295935E-10
|
||
|
0.253971859273E-10 0.279561825200E-10 0.307730211988E-10 0.338736818880E-10 0.372867622246E-10
|
||
|
0.410437413163E-10 0.451792700752E-10 0.497314908066E-10 0.547423889974E-10 0.602581805522E-10
|
||
|
0.663297380455E-10 0.730130599233E-10 0.803697869812E-10 0.884677708813E-10 0.973816999537E-10
|
||
|
0.107193788052E-09 0.117994532817E-09 0.129883550344E-09 0.142970493948E-09 0.157376065506E-09
|
||
|
0.173233128693E-09 0.190687934401E-09 0.209901469613E-09 0.231050942204E-09 0.254331415333E-09
|
||
|
0.279957606528E-09 0.308165868042E-09 0.339216366735E-09 0.373395483620E-09 0.411018455165E-09
|
||
|
0.452432280740E-09 0.498018923010E-09 0.548198830802E-09 0.603434816924E-09 0.664236326712E-09
|
||
|
0.731164136671E-09 0.804835526543E-09 0.885929972510E-09 0.975195414027E-09 0.107345515210E-08
|
||
|
0.118161544264E-08 0.130067385487E-08 0.143172847193E-08 0.157598801860E-08 0.173478300931E-08
|
||
|
0.190957801957E-08 0.210198519376E-08 0.231377911396E-08 0.254691316695E-08 0.280353756030E-08
|
||
|
0.308601915377E-08 0.339696328881E-08 0.373923781763E-08 0.411599955336E-08 0.453072338529E-08
|
||
|
0.498723432765E-08 0.548974279761E-08 0.604288344780E-08 0.665175791146E-08 0.732198185451E-08
|
||
|
0.805973676850E-08 0.887182698202E-08 0.976574241641E-08 0.107497276646E-07 0.118328580302E-07
|
||
|
0.130251232276E-07 0.143375195163E-07 0.157821511171E-07 0.173723418479E-07 0.191227580068E-07
|
||
|
0.210495436361E-07 0.231704694158E-07 0.255050965580E-07 0.280749572152E-07 0.309037530655E-07
|
||
|
0.340175739055E-07 0.374451382686E-07 0.412180582853E-07 0.453711312302E-07 0.499426604427E-07
|
||
|
0.549748085818E-07 0.605139864717E-07 0.666112811253E-07 0.733229268908E-07 0.807108240679E-07
|
||
|
0.888431097738E-07 0.977947863252E-07 0.107648412929E-06 0.118494867059E-06 0.130434182544E-06
|
||
|
0.143576472084E-06 0.158042942714E-06 0.173967013569E-06 0.191495546256E-06 0.210790199186E-06
|
||
|
0.232028918334E-06 0.255407578193E-06 0.281141788034E-06 0.309468880127E-06 0.340650098257E-06
|
||
|
0.374973006700E-06 0.412754141874E-06 0.454341931099E-06 0.500119905369E-06 0.550510235757E-06
|
||
|
0.605977626030E-06 0.667033597361E-06 0.734241204614E-06 0.808220227670E-06 0.889652885619E-06
|
||
|
0.979290126478E-06 0.107795855037E-05 0.118656802997E-05 0.130612009834E-05 0.143771718157E-05
|
||
|
0.158257276104E-05 0.174202255910E-05 0.191753685104E-05 0.211073401676E-05 0.232339545689E-05
|
||
|
0.255748201069E-05 0.281515202678E-05 0.309878125310E-05 0.341098472906E-05 0.375464088126E-05
|
||
|
0.413291804450E-05 0.454930365194E-05 0.500763636286E-05 0.551214142337E-05 0.606746958504E-05
|
||
|
0.667873993919E-05 0.735158706029E-05 0.809221289143E-05 0.890744384848E-05 0.980479366687E-05
|
||
|
0.107925325679E-04 0.118797633790E-04 0.130765053060E-04 0.143937861256E-04 0.158437436421E-04
|
||
|
0.174397373384E-04 0.191964712431E-04 0.211301291382E-04 0.232585233432E-04 0.256012584369E-04
|
||
|
0.281799114110E-04 0.310182299013E-04 0.341423503043E-04 0.375810377681E-04 0.413659502427E-04
|
||
|
0.455319289949E-04 0.501173182269E-04 0.551643167057E-04 0.607193645905E-04 0.668335689696E-04
|
||
|
0.735631719564E-04 0.809700655805E-04 0.891223581234E-04 0.980949970087E-04 0.107970453854E-03
|
||
|
0.118839477849E-03 0.130801924215E-03 0.143967665178E-03 0.158457591598E-03 0.174404714184E-03
|
||
|
0.191955374123E-03 0.211270573843E-03 0.232527439740E-03 0.255920829749E-03 0.281665099966E-03
|
||
|
0.309996045799E-03 0.341173034654E-03 0.375481348758E-03 0.413234758459E-03 0.454778348275E-03
|
||
|
0.500491620019E-03 0.550791899617E-03 0.606138076644E-03 0.667034708309E-03 0.734036522475E-03
|
||
|
0.807753357437E-03 0.888855579536E-03 0.978080023358E-03 0.107623650316E-02 0.118421494838E-02
|
||
|
0.130299322069E-02 0.143364567476E-02 0.157735253026E-02 0.173541012788E-02 0.190924214843E-02
|
||
|
0.210041187977E-02 0.231063562320E-02 0.254179733776E-02 0.279596462779E-02 0.307540618681E-02
|
||
|
0.338261081810E-02 0.372030816042E-02 0.409149125468E-02 0.449944109561E-02 0.494775331965E-02
|
||
|
0.544036718760E-02 0.598159702726E-02 0.657616630682E-02 0.722924451451E-02 0.794648702300E-02
|
||
|
0.873407811796E-02 0.959877736877E-02 0.105479695143E-01 0.115897180280E-01 0.127328225136E-01
|
||
|
0.139868800601E-01 0.153623506629E-01 0.168706267761E-01 0.185241070203E-01 0.203362740081E-01
|
||
|
0.223217761791E-01 0.244965134448E-01 0.268777263344E-01 0.294840882010E-01 0.323357998853E-01
|
||
|
0.354546860473E-01 0.388642921487E-01 0.425899808041E-01 0.466590259119E-01 0.511007026107E-01
|
||
|
0.559463706954E-01 0.612295486469E-01 0.669859748819E-01 0.732536522149E-01 0.800728708231E-01
|
||
|
0.874862042312E-01 0.955384719678E-01 0.104276661606E+00 0.113749801869E+00 0.124008777403E+00
|
||
|
0.135106074638E+00 0.147095447004E+00 0.160031486553E+00 0.173969087877E+00 0.188962789174E+00
|
||
|
0.205065974373E+00 0.222329919643E+00 0.240802667304E+00 0.260527710464E+00 0.281542472639E+00
|
||
|
0.303876568524E+00 0.327549835081E+00 0.352570126602E+00 0.378930873634E+00 0.406608413933E+00
|
||
|
0.435559114425E+00 0.465716316710E+00 0.496987155366E+00 0.529249318463E+00 0.562347843350E+00
|
||
|
0.596092068006E+00 0.630252888625E+00 0.664560506987E+00 0.698702885341E+00 0.732325160064E+00
|
||
|
0.765030295531E+00 0.796381282739E+00 0.825905198301E+00 0.853099432309E+00 0.877440360689E+00
|
||
|
0.898394670431E+00 0.915433434737E+00 0.928048870028E+00 0.935773478880E+00 0.938200985926E+00
|
||
|
0.935008105994E+00 0.925975751589E+00 0.911007808479E+00 0.890145118239E+00 0.863571861150E+00
|
||
|
0.831611213924E+00 0.794707075920E+00 0.753388956202E+00 0.708217958233E+00 0.659713367423E+00
|
||
|
0.608261804236E+00 0.554015090421E+00 0.496911161441E+00 0.436924053883E+00 0.374051948708E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
0.208898301751E-07 0.227685680061E-07 0.248063956545E-07 0.270175998003E-07 0.294176911603E-07
|
||
|
0.320235147567E-07 0.348533697806E-07 0.379271399179E-07 0.412664350851E-07 0.448947456108E-07
|
||
|
0.488376099872E-07 0.531227974197E-07 0.577805065101E-07 0.628435815323E-07 0.683477478886E-07
|
||
|
0.743318684773E-07 0.808382228630E-07 0.879128113068E-07 0.956056859022E-07 0.103971311272E-06
|
||
|
0.113068957490E-06 0.122963128153E-06 0.133724026782E-06 0.145428065011E-06 0.158158416377E-06
|
||
|
0.172005619821E-06 0.187068237418E-06 0.203453571269E-06 0.221278444911E-06 0.240670055130E-06
|
||
|
0.261766900557E-06 0.284719794061E-06 0.309692966543E-06 0.336865270487E-06 0.366431492334E-06
|
||
|
0.398603783645E-06 0.433613221850E-06 0.471711512463E-06 0.513172845662E-06 0.558295921371E-06
|
||
|
0.607406158236E-06 0.660858103349E-06 0.719038061095E-06 0.782366961200E-06 0.851303487897E-06
|
||
|
0.926347494170E-06 0.100804372721E-05 0.109698589364E-05 0.119382109571E-05 0.129925467252E-05
|
||
|
0.141405548341E-05 0.153906167424E-05 0.167518697076E-05 0.182342754769E-05 0.198486952614E-05
|
||
|
0.216069715740E-05 0.235220175584E-05 0.256079144996E-05 0.278800182658E-05 0.303550755022E-05
|
||
|
0.330513504720E-05 0.359887635205E-05 0.391890422291E-05 0.426758864222E-05 0.464751482961E-05
|
||
|
0.506150290533E-05 0.551262935546E-05 0.600425046334E-05 0.654002788706E-05 0.712395657860E-05
|
||
|
0.776039525836E-05 0.845409967751E-05 0.921025892192E-05 0.100345350338E-04 0.109331062523E-04
|
||
|
0.119127141999E-04 0.129807153736E-04 0.141451373263E-04 0.154147399643E-04 0.167990824190E-04
|
||
|
0.183085959944E-04 0.199546637331E-04 0.217497071947E-04 0.237072810877E-04 0.258421764540E-04
|
||
|
0.281705331645E-04 0.307099625510E-04 0.334796810647E-04 0.365006559356E-04 0.397957638799E-04
|
||
|
0.433899639981E-04 0.473104860971E-04 0.515870357743E-04 0.562520177088E-04 0.613407787287E-04
|
||
|
0.668918723431E-04 0.729473465703E-04 0.795530570366E-04 0.867590074756E-04 0.946197199290E-04
|
||
|
0.103194637123E-03 0.112548559691E-03 0.122752121112E-03 0.133882303445E-03 0.146022997190E-03
|
||
|
0.159265608814E-03 0.173709719772E-03 0.189463801104E-03 0.206645987971E-03 0.225384918823E-03
|
||
|
0.245820644160E-03 0.268105610223E-03 0.292405723254E-03 0.318901500358E-03 0.347789313326E-03
|
||
|
0.379282732202E-03 0.413613975725E-03 0.451035476186E-03 0.491821566668E-03 0.536270298975E-03
|
||
|
0.584705401022E-03 0.637478382811E-03 0.694970800500E-03 0.757596688464E-03 0.825805169543E-03
|
||
|
0.900083254019E-03 0.980958838094E-03 0.106900391288E-02 0.116483799501E-02 0.126913179015E-02
|
||
|
0.138261110047E-02 0.150606098725E-02 0.164033019924E-02 0.178633587730E-02 0.194506854478E-02
|
||
|
0.211759739287E-02 0.230507586852E-02 0.250874757169E-02 0.272995246673E-02 0.297013341091E-02
|
||
|
0.323084300082E-02 0.351375073432E-02 0.382065048276E-02 0.415346826422E-02 0.451427030416E-02
|
||
|
0.490527136491E-02 0.532884331959E-02 0.578752393957E-02 0.628402585729E-02 0.682124565776E-02
|
||
|
0.740227304326E-02 0.803040000486E-02 0.870912992360E-02 0.944218651115E-02 0.102335224864E-01
|
||
|
0.110873278692E-01 0.120080377557E-01 0.130003394241E-01 0.140691785972E-01 0.152197646715E-01
|
||
|
0.164575746979E-01 0.177883558773E-01 0.192181263075E-01 0.207531736913E-01 0.224000516841E-01
|
||
|
0.241655735270E-01 0.260568025756E-01 0.280810392948E-01 0.302458042566E-01 0.325588166391E-01
|
||
|
0.350279677026E-01 0.376612886991E-01 0.404669126725E-01 0.434530296088E-01 0.466278344130E-01
|
||
|
0.499994672021E-01 0.535759454163E-01 0.573650872586E-01 0.613744259826E-01 0.656111145604E-01
|
||
|
0.700818202791E-01 0.747926088470E-01 0.797488176379E-01 0.849549177713E-01 0.904143648301E-01
|
||
|
0.961294381457E-01 0.102101068739E+00 0.108328656189E+00 0.114809874922E+00 0.121540470633E+00
|
||
|
0.128514047862E+00 0.135721850002E+00 0.143152533379E+00 0.150791937398E+00 0.158622853126E+00
|
||
|
0.166624793096E+00 0.174773765536E+00 0.183042056672E+00 0.191398025176E+00 0.199805913284E+00
|
||
|
0.208225679490E+00 0.216612858164E+00 0.224918451732E+00 0.233088861371E+00 0.241065862307E+00
|
||
|
0.248786629802E+00 0.256183821663E+00 0.263185722522E+00 0.269716454343E+00 0.275696256710E+00
|
||
|
0.281041840043E+00 0.285666815358E+00 0.289482206212E+00 0.292397051430E+00 0.294319110428E+00
|
||
|
0.295155684318E+00 0.294814563628E+00 0.293205105577E+00 0.290239431631E+00 0.285833725391E+00
|
||
|
0.279909607923E+00 0.272395572521E+00 0.263228466127E+00 0.252355004998E+00 0.239733307967E+00
|
||
|
0.225334426090E+00 0.209143844520E+00 0.191162931276E+00 0.171410306662E+00 0.149923105567E+00
|
||
|
0.126758102828E+00 0.101992669439E+00 0.757255254019E-01 0.480772538649E-01 0.191905412877E-01
|
||
|
-0.107698898476E-01 -0.416176858707E-01 -0.731456295903E-01 -0.105126790333E+00 -0.137316068854E+00
|
||
|
-0.169452138324E+00 -0.201259759911E+00 -0.232452408643E+00 -0.262735085410E+00 -0.291807150394E+00
|
||
|
-0.319365066823E+00 -0.345105159653E+00 -0.368726811219E+00 -0.389936589614E+00 -0.408453244380E+00
|
||
|
-0.424012757655E+00 -0.436372696808E+00 -0.445315784532E+00 -0.450652957031E+00 -0.452226087172E+00
|
||
|
-0.449910359698E+00 -0.443616180164E+00 -0.433290492438E+00 -0.418917434907E+00 -0.400518334648E+00
|
||
|
-0.378151088924E+00 -0.351909007374E+00 -0.321919193556E+00 -0.288340540768E+00 -0.251361409603E+00
|
||
|
-0.211197047182E+00 -0.168086800939E+00 -0.122291174629E+00 -0.740887709805E-01 -0.237731641960E-01
|
||
|
0.283502536127E-01 0.819674060033E-01 0.136758596428E+00 0.192401449690E+00 0.248573673100E+00
|
||
|
0.304955578016E+00 0.361232309125E+00 0.417095751603E+00 0.472246128234E+00 0.526393351348E+00
|
||
|
0.579258235249E+00 0.630573678276E+00 0.680085881406E+00 0.727555607614E+00 0.772759425271E+00
|
||
|
0.815490858828E+00 0.855561369708E+00 0.892801121860E+00 0.927059506434E+00 0.958205417914E+00
|
||
|
0.986127297692E+00 0.101073295332E+01 0.103194918021E+01 0.104972119691E+01 0.106401191528E+01
|
||
|
0.107480104017E+01 0.108208399977E+01 0.108587068363E+01 0.108618397634E+01 0.108305807699E+01
|
||
|
0.107653661957E+01 0.106667064812E+01 0.105351654133E+01 0.103713401142E+01 0.101758432571E+01
|
||
|
0.994928810096E+00 0.969227659027E+00 0.940538862748E+00 0.908916936904E+00 0.874411068154E+00
|
||
|
0.837062474201E+00 0.796901268099E+00 0.753943776613E+00 0.708191610080E+00 0.659633383144E+00
|
||
|
0.608248955924E+00 0.554015090421E+00 0.496911161441E+00 0.436924053883E+00 0.374051948708E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
End of Dataset
|
||
|
PAW_PBE Ni_pv 06Sep2000
|
||
|
16.0000000000000
|
||
|
parameters from PSCTR are:
|
||
|
VRHFIN =Ni:
|
||
|
LEXCH = PE
|
||
|
EATOM = 3501.1230 eV, 257.3253 Ry
|
||
|
|
||
|
TITEL = PAW_PBE Ni_pv 06Sep2000
|
||
|
LULTRA = F use ultrasoft PP ?
|
||
|
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
|
||
|
RPACOR = 1.500 partial core radius
|
||
|
POMASS = 58.690; ZVAL = 16.000 mass and valenz
|
||
|
RCORE = 2.000 outmost cutoff radius
|
||
|
RWIGS = 2.000; RWIGS = 1.058 wigner-seitz radius (au A)
|
||
|
ENMAX = 367.986; ENMIN = 275.989 eV
|
||
|
RCLOC = 1.301 cutoff for local pot
|
||
|
LCOR = T correct aug charges
|
||
|
LPAW = T paw PP
|
||
|
EAUG = 703.443
|
||
|
DEXC = 0.000
|
||
|
RMAX = 2.041 core radius for proj-oper
|
||
|
RAUG = 1.300 factor for augmentation sphere
|
||
|
RDEP = 2.103 radius for radial grids
|
||
|
RDEPT = 1.618 core radius for aug-charge
|
||
|
|
||
|
Atomic configuration
|
||
|
8 entries
|
||
|
n l j E occ.
|
||
|
1 0 0.50 -8206.4253 2.0000
|
||
|
2 0 0.50 -976.1748 2.0000
|
||
|
2 1 1.50 -839.0571 6.0000
|
||
|
3 0 0.50 -105.9991 2.0000
|
||
|
3 1 1.50 -66.4603 6.0000
|
||
|
3 2 2.50 -4.6458 9.0000
|
||
|
4 0 0.50 -4.4926 1.0000
|
||
|
4 3 2.50 -1.3606 0.0000
|
||
|
Description
|
||
|
l E TYP RCUT TYP RCUT
|
||
|
1 -66.4602962 23 1.700
|
||
|
1 -1.3605826 23 1.700
|
||
|
2 -4.6457867 23 2.000
|
||
|
2 -6.0063693 23 2.000
|
||
|
0 -4.4925576 23 1.900
|
||
|
0 16.3626226 23 1.900
|
||
|
Error from kinetic energy argument (eV)
|
||
|
NDATA = 100
|
||
|
STEP = 20.000 1.050
|
||
|
324. 322. 321. 319. 318. 315. 312. 311.
|
||
|
308. 304. 302. 299. 294. 290. 286. 281.
|
||
|
276. 271. 265. 257. 251. 245. 235. 229.
|
||
|
222. 212. 202. 195. 185. 175. 165. 154.
|
||
|
144. 134. 125. 115. 103. 94.9 84.0 76.4
|
||
|
66.8 57.9 49.9 42.6 36.1 30.3 25.2 19.7
|
||
|
16.0 12.2 9.07 7.06 5.07 3.55 2.24 1.48
|
||
|
0.955 0.548 0.312 0.187 0.129 0.106 0.991E-01 0.959E-01
|
||
|
0.914E-01 0.818E-01 0.686E-01 0.541E-01 0.386E-01 0.276E-01 0.187E-01 0.134E-01
|
||
|
0.107E-01 0.947E-02 0.875E-02 0.810E-02 0.709E-02 0.585E-02 0.447E-02 0.343E-02
|
||
|
0.259E-02 0.206E-02 0.175E-02 0.152E-02 0.133E-02 0.115E-02 0.962E-03 0.777E-03
|
||
|
0.619E-03 0.494E-03 0.398E-03 0.343E-03 0.304E-03 0.272E-03 0.228E-03 0.177E-03
|
||
|
0.134E-03 0.113E-03 0.105E-03 0.979E-04
|
||
|
END of PSCTR-controll parameters
|
||
|
local part
|
||
|
94.4862994289462
|
||
|
0.10531022E+03 0.10529627E+03 0.10525448E+03 0.10518488E+03 0.10508753E+03
|
||
|
0.10496251E+03 0.10480994E+03 0.10462996E+03 0.10442272E+03 0.10418841E+03
|
||
|
0.10392724E+03 0.10363943E+03 0.10332524E+03 0.10298492E+03 0.10261877E+03
|
||
|
0.10222710E+03 0.10181023E+03 0.10136851E+03 0.10090231E+03 0.10041201E+03
|
||
|
0.99898019E+02 0.99360747E+02 0.98800637E+02 0.98218143E+02 0.97613737E+02
|
||
|
0.96987908E+02 0.96341160E+02 0.95674013E+02 0.94987003E+02 0.94280678E+02
|
||
|
0.93555600E+02 0.92812344E+02 0.92051497E+02 0.91273656E+02 0.90479429E+02
|
||
|
0.89669433E+02 0.88844292E+02 0.88004641E+02 0.87151118E+02 0.86284370E+02
|
||
|
0.85405048E+02 0.84513809E+02 0.83611313E+02 0.82698223E+02 0.81775208E+02
|
||
|
0.80842934E+02 0.79902072E+02 0.78953293E+02 0.77997267E+02 0.77034664E+02
|
||
|
0.76066151E+02 0.75092395E+02 0.74114059E+02 0.73131799E+02 0.72146272E+02
|
||
|
0.71158125E+02 0.70168002E+02 0.69176537E+02 0.68184360E+02 0.67192090E+02
|
||
|
0.66200340E+02 0.65209711E+02 0.64220797E+02 0.63234180E+02 0.62250431E+02
|
||
|
0.61270109E+02 0.60293763E+02 0.59321929E+02 0.58355128E+02 0.57393870E+02
|
||
|
0.56438652E+02 0.55489952E+02 0.54548239E+02 0.53613962E+02 0.52687558E+02
|
||
|
0.51769446E+02 0.50860030E+02 0.49959695E+02 0.49068813E+02 0.48187735E+02
|
||
|
0.47316797E+02 0.46456316E+02 0.45606594E+02 0.44767911E+02 0.43940534E+02
|
||
|
0.43124707E+02 0.42320660E+02 0.41528603E+02 0.40748728E+02 0.39981210E+02
|
||
|
0.39226205E+02 0.38483851E+02 0.37754270E+02 0.37037564E+02 0.36333819E+02
|
||
|
0.35643102E+02 0.34965465E+02 0.34300941E+02 0.33649548E+02 0.33011288E+02
|
||
|
0.32386144E+02 0.31774088E+02 0.31175072E+02 0.30589037E+02 0.30015908E+02
|
||
|
0.29455597E+02 0.28908000E+02 0.28373005E+02 0.27850482E+02 0.27340294E+02
|
||
|
0.26842290E+02 0.26356309E+02 0.25882181E+02 0.25419723E+02 0.24968748E+02
|
||
|
0.24529057E+02 0.24100443E+02 0.23682696E+02 0.23275594E+02 0.22878914E+02
|
||
|
0.22492426E+02 0.22115893E+02 0.21749079E+02 0.21391741E+02 0.21043635E+02
|
||
|
0.20704515E+02 0.20374133E+02 0.20052241E+02 0.19738591E+02 0.19432934E+02
|
||
|
0.19135023E+02 0.18844614E+02 0.18561462E+02 0.18285326E+02 0.18015970E+02
|
||
|
0.17753157E+02 0.17496658E+02 0.17246247E+02 0.17001701E+02 0.16762804E+02
|
||
|
0.16529345E+02 0.16301119E+02 0.16077926E+02 0.15859572E+02 0.15645870E+02
|
||
|
0.15436642E+02 0.15231712E+02 0.15030915E+02 0.14834090E+02 0.14641086E+02
|
||
|
0.14451757E+02 0.14265965E+02 0.14083579E+02 0.13904474E+02 0.13728533E+02
|
||
|
0.13555647E+02 0.13385710E+02 0.13218628E+02 0.13054308E+02 0.12892668E+02
|
||
|
0.12733628E+02 0.12577116E+02 0.12423067E+02 0.12271418E+02 0.12122114E+02
|
||
|
0.11975104E+02 0.11830341E+02 0.11687783E+02 0.11547391E+02 0.11409132E+02
|
||
|
0.11272974E+02 0.11138890E+02 0.11006853E+02 0.10876842E+02 0.10748836E+02
|
||
|
0.10622817E+02 0.10498766E+02 0.10376670E+02 0.10256513E+02 0.10138281E+02
|
||
|
0.10021962E+02 0.99075417E+01 0.97950085E+01 0.96843491E+01 0.95755504E+01
|
||
|
0.94685989E+01 0.93634802E+01 0.92601793E+01 0.91586803E+01 0.90589662E+01
|
||
|
0.89610188E+01 0.88648186E+01 0.87703451E+01 0.86775761E+01 0.85864882E+01
|
||
|
0.84970566E+01 0.84092549E+01 0.83230555E+01 0.82384294E+01 0.81553463E+01
|
||
|
0.80737746E+01 0.79936816E+01 0.79150332E+01 0.78377948E+01 0.77619304E+01
|
||
|
0.76874036E+01 0.76141770E+01 0.75422127E+01 0.74714726E+01 0.74019179E+01
|
||
|
0.73335099E+01 0.72662098E+01 0.71999787E+01 0.71347782E+01 0.70705699E+01
|
||
|
0.70073163E+01 0.69449803E+01 0.68835254E+01 0.68229164E+01 0.67631186E+01
|
||
|
0.67040988E+01 0.66458248E+01 0.65882658E+01 0.65313925E+01 0.64751768E+01
|
||
|
0.64195925E+01 0.63646146E+01 0.63102202E+01 0.62563878E+01 0.62030976E+01
|
||
|
0.61503317E+01 0.60980739E+01 0.60463096E+01 0.59950260E+01 0.59442121E+01
|
||
|
0.58938585E+01 0.58439573E+01 0.57945023E+01 0.57454888E+01 0.56969135E+01
|
||
|
0.56487747E+01 0.56010716E+01 0.55538050E+01 0.55069766E+01 0.54605892E+01
|
||
|
0.54146464E+01 0.53691529E+01 0.53241136E+01 0.52795345E+01 0.52354218E+01
|
||
|
0.51917820E+01 0.51486219E+01 0.51059485E+01 0.50637688E+01 0.50220896E+01
|
||
|
0.49809175E+01 0.49402590E+01 0.49001199E+01 0.48605058E+01 0.48214216E+01
|
||
|
0.47828717E+01 0.47448595E+01 0.47073878E+01 0.46704587E+01 0.46340733E+01
|
||
|
0.45982315E+01 0.45629327E+01 0.45281750E+01 0.44939556E+01 0.44602705E+01
|
||
|
0.44271148E+01 0.43944826E+01 0.43623669E+01 0.43307597E+01 0.42996520E+01
|
||
|
0.42690339E+01 0.42388947E+01 0.42092226E+01 0.41800053E+01 0.41512295E+01
|
||
|
0.41228815E+01 0.40949468E+01 0.40674104E+01 0.40402569E+01 0.40134707E+01
|
||
|
0.39870355E+01 0.39609352E+01 0.39351533E+01 0.39096735E+01 0.38844792E+01
|
||
|
0.38595542E+01 0.38348825E+01 0.38104482E+01 0.37862359E+01 0.37622306E+01
|
||
|
0.37384179E+01 0.37147837E+01 0.36913149E+01 0.36679990E+01 0.36448241E+01
|
||
|
0.36217794E+01 0.35988546E+01 0.35760406E+01 0.35533292E+01 0.35307130E+01
|
||
|
0.35081857E+01 0.34857419E+01 0.34633773E+01 0.34410885E+01 0.34188731E+01
|
||
|
0.33967297E+01 0.33746578E+01 0.33526580E+01 0.33307315E+01 0.33088807E+01
|
||
|
0.32871086E+01 0.32654191E+01 0.32438168E+01 0.32223070E+01 0.32008957E+01
|
||
|
0.31795893E+01 0.31583950E+01 0.31373202E+01 0.31163728E+01 0.30955609E+01
|
||
|
0.30748930E+01 0.30543776E+01 0.30340234E+01 0.30138392E+01 0.29938335E+01
|
||
|
0.29740149E+01 0.29543919E+01 0.29349724E+01 0.29157644E+01 0.28967752E+01
|
||
|
0.28780119E+01 0.28594811E+01 0.28411888E+01 0.28231404E+01 0.28053408E+01
|
||
|
0.27877943E+01 0.27705044E+01 0.27534740E+01 0.27367051E+01 0.27201992E+01
|
||
|
0.27039569E+01 0.26879780E+01 0.26722616E+01 0.26568061E+01 0.26416089E+01
|
||
|
0.26266670E+01 0.26119764E+01 0.25975324E+01 0.25833298E+01 0.25693626E+01
|
||
|
0.25556243E+01 0.25421076E+01 0.25288050E+01 0.25157082E+01 0.25028086E+01
|
||
|
0.24900972E+01 0.24775647E+01 0.24652014E+01 0.24529974E+01 0.24409427E+01
|
||
|
0.24290271E+01 0.24172402E+01 0.24055719E+01 0.23940118E+01 0.23825497E+01
|
||
|
0.23711757E+01 0.23598800E+01 0.23486528E+01 0.23374850E+01 0.23263677E+01
|
||
|
0.23152922E+01 0.23042505E+01 0.22932349E+01 0.22822383E+01 0.22712542E+01
|
||
|
0.22602764E+01 0.22492996E+01 0.22383189E+01 0.22273301E+01 0.22163297E+01
|
||
|
0.22053147E+01 0.21942829E+01 0.21832327E+01 0.21721631E+01 0.21610737E+01
|
||
|
0.21499649E+01 0.21388376E+01 0.21276934E+01 0.21165342E+01 0.21053629E+01
|
||
|
0.20941826E+01 0.20829970E+01 0.20718102E+01 0.20606270E+01 0.20494523E+01
|
||
|
0.20382914E+01 0.20271502E+01 0.20160344E+01 0.20049504E+01 0.19939045E+01
|
||
|
0.19829033E+01 0.19719534E+01 0.19610614E+01 0.19502341E+01 0.19394780E+01
|
||
|
0.19287999E+01 0.19182061E+01 0.19077029E+01 0.18972965E+01 0.18869926E+01
|
||
|
0.18767969E+01 0.18667147E+01 0.18567509E+01 0.18469101E+01 0.18371965E+01
|
||
|
0.18276139E+01 0.18181656E+01 0.18088544E+01 0.17996829E+01 0.17906529E+01
|
||
|
0.17817658E+01 0.17730225E+01 0.17644235E+01 0.17559687E+01 0.17476574E+01
|
||
|
0.17394885E+01 0.17314606E+01 0.17235714E+01 0.17158186E+01 0.17081990E+01
|
||
|
0.17007094E+01 0.16933460E+01 0.16861046E+01 0.16789806E+01 0.16719692E+01
|
||
|
0.16650653E+01 0.16582635E+01 0.16515582E+01 0.16449434E+01 0.16384132E+01
|
||
|
0.16319614E+01 0.16255819E+01 0.16192681E+01 0.16130139E+01 0.16068129E+01
|
||
|
0.16006588E+01 0.15945453E+01 0.15884664E+01 0.15824160E+01 0.15763884E+01
|
||
|
0.15703780E+01 0.15643794E+01 0.15583876E+01 0.15523977E+01 0.15464052E+01
|
||
|
0.15404059E+01 0.15343959E+01 0.15283719E+01 0.15223307E+01 0.15162695E+01
|
||
|
0.15101861E+01 0.15040786E+01 0.14979454E+01 0.14917853E+01 0.14855979E+01
|
||
|
0.14793827E+01 0.14731398E+01 0.14668699E+01 0.14605738E+01 0.14542528E+01
|
||
|
0.14479086E+01 0.14415432E+01 0.14351590E+01 0.14287585E+01 0.14223448E+01
|
||
|
0.14159210E+01 0.14094906E+01 0.14030574E+01 0.13966251E+01 0.13901977E+01
|
||
|
0.13837796E+01 0.13773749E+01 0.13709880E+01 0.13646233E+01 0.13582852E+01
|
||
|
0.13519783E+01 0.13457069E+01 0.13394753E+01 0.13332878E+01 0.13271487E+01
|
||
|
0.13210618E+01 0.13150311E+01 0.13090603E+01 0.13031528E+01 0.12973118E+01
|
||
|
0.12915404E+01 0.12858413E+01 0.12802170E+01 0.12746696E+01 0.12692010E+01
|
||
|
0.12638128E+01 0.12585061E+01 0.12532819E+01 0.12481407E+01 0.12430828E+01
|
||
|
0.12381081E+01 0.12332162E+01 0.12284063E+01 0.12236774E+01 0.12190281E+01
|
||
|
0.12144567E+01 0.12099614E+01 0.12055399E+01 0.12011896E+01 0.11969080E+01
|
||
|
0.11926920E+01 0.11885385E+01 0.11844441E+01 0.11804053E+01 0.11764186E+01
|
||
|
0.11724800E+01 0.11685858E+01 0.11647319E+01 0.11609143E+01 0.11571292E+01
|
||
|
0.11533723E+01 0.11496397E+01 0.11459274E+01 0.11422315E+01 0.11385483E+01
|
||
|
0.11348740E+01 0.11312051E+01 0.11275381E+01 0.11238698E+01 0.11201971E+01
|
||
|
0.11165172E+01 0.11128275E+01 0.11091255E+01 0.11054091E+01 0.11016763E+01
|
||
|
0.10979254E+01 0.10941552E+01 0.10903644E+01 0.10865522E+01 0.10827181E+01
|
||
|
0.10788618E+01 0.10749832E+01 0.10710826E+01 0.10671606E+01 0.10632179E+01
|
||
|
0.10592556E+01 0.10552749E+01 0.10512775E+01 0.10472650E+01 0.10432394E+01
|
||
|
0.10392028E+01 0.10351575E+01 0.10311060E+01 0.10270509E+01 0.10229949E+01
|
||
|
0.10189407E+01 0.10148914E+01 0.10108498E+01 0.10068190E+01 0.10028019E+01
|
||
|
0.99880166E+00 0.99482122E+00 0.99086356E+00 0.98693159E+00 0.98302815E+00
|
||
|
0.97915599E+00 0.97531773E+00 0.97151587E+00 0.96775279E+00 0.96403066E+00
|
||
|
0.96035152E+00 0.95671721E+00 0.95312937E+00 0.94958943E+00 0.94609863E+00
|
||
|
0.94265797E+00 0.93926822E+00 0.93592995E+00 0.93264348E+00 0.92940889E+00
|
||
|
0.92622606E+00 0.92309463E+00 0.92001402E+00 0.91698341E+00 0.91400180E+00
|
||
|
0.91106797E+00 0.90818051E+00 0.90533781E+00 0.90253810E+00 0.89977944E+00
|
||
|
0.89705975E+00 0.89437679E+00 0.89172822E+00 0.88911160E+00 0.88652438E+00
|
||
|
0.88396395E+00 0.88142765E+00 0.87891278E+00 0.87641662E+00 0.87393643E+00
|
||
|
0.87146952E+00 0.86901321E+00 0.86656486E+00 0.86412192E+00 0.86168190E+00
|
||
|
0.85924240E+00 0.85680114E+00 0.85435595E+00 0.85190481E+00 0.84944582E+00
|
||
|
0.84697724E+00 0.84449750E+00 0.84200520E+00 0.83949912E+00 0.83697823E+00
|
||
|
0.83444167E+00 0.83188878E+00 0.82931913E+00 0.82673243E+00 0.82412864E+00
|
||
|
0.82150787E+00 0.81887046E+00 0.81621691E+00 0.81354791E+00 0.81086434E+00
|
||
|
0.80816721E+00 0.80545771E+00 0.80273720E+00 0.80000713E+00 0.79726910E+00
|
||
|
0.79452484E+00 0.79177614E+00 0.78902492E+00 0.78627314E+00 0.78352285E+00
|
||
|
0.78077613E+00 0.77803509E+00 0.77530188E+00 0.77257863E+00 0.76986749E+00
|
||
|
0.76717054E+00 0.76448986E+00 0.76182748E+00 0.75918533E+00 0.75656529E+00
|
||
|
0.75396915E+00 0.75139857E+00 0.74885514E+00 0.74634029E+00 0.74385533E+00
|
||
|
0.74140144E+00 0.73897964E+00 0.73659081E+00 0.73423568E+00 0.73191479E+00
|
||
|
0.72962855E+00 0.72737720E+00 0.72516080E+00 0.72297927E+00 0.72083235E+00
|
||
|
0.71871964E+00 0.71664056E+00 0.71459440E+00 0.71258030E+00 0.71059725E+00
|
||
|
0.70864412E+00 0.70671965E+00 0.70482246E+00 0.70295107E+00 0.70110391E+00
|
||
|
0.69927929E+00 0.69747549E+00 0.69569071E+00 0.69392310E+00 0.69217076E+00
|
||
|
0.69043178E+00 0.68870424E+00 0.68698621E+00 0.68527577E+00 0.68357104E+00
|
||
|
0.68187014E+00 0.68017128E+00 0.67847269E+00 0.67677270E+00 0.67506969E+00
|
||
|
0.67336213E+00 0.67164860E+00 0.66992776E+00 0.66819841E+00 0.66645943E+00
|
||
|
0.66470986E+00 0.66294885E+00 0.66117566E+00 0.65938974E+00 0.65759063E+00
|
||
|
0.65577802E+00 0.65395177E+00 0.65211185E+00 0.65025837E+00 0.64839160E+00
|
||
|
0.64651191E+00 0.64461983E+00 0.64271600E+00 0.64080119E+00 0.63887625E+00
|
||
|
0.63694218E+00 0.63500005E+00 0.63305103E+00 0.63109636E+00 0.62913736E+00
|
||
|
0.62717543E+00 0.62521199E+00 0.62324854E+00 0.62128660E+00 0.61932770E+00
|
||
|
0.61737342E+00 0.61542531E+00 0.61348494E+00 0.61155384E+00 0.60963353E+00
|
||
|
0.60772550E+00 0.60583119E+00 0.60395197E+00 0.60208915E+00 0.60024400E+00
|
||
|
0.59841767E+00 0.59661124E+00 0.59482570E+00 0.59306194E+00 0.59132075E+00
|
||
|
0.58960280E+00 0.58790866E+00 0.58623878E+00 0.58459351E+00 0.58297306E+00
|
||
|
0.58137753E+00 0.57980692E+00 0.57826109E+00 0.57673980E+00 0.57524269E+00
|
||
|
0.57376929E+00 0.57231902E+00 0.57089121E+00 0.56948507E+00 0.56809974E+00
|
||
|
0.56673426E+00 0.56538759E+00 0.56405861E+00 0.56274614E+00 0.56144895E+00
|
||
|
0.56016576E+00 0.55889523E+00 0.55763600E+00 0.55638668E+00 0.55514589E+00
|
||
|
0.55391220E+00 0.55268422E+00 0.55146055E+00 0.55023981E+00 0.54902067E+00
|
||
|
0.54780180E+00 0.54658193E+00 0.54535985E+00 0.54413439E+00 0.54290445E+00
|
||
|
0.54166899E+00 0.54042706E+00 0.53917778E+00 0.53792036E+00 0.53665410E+00
|
||
|
0.53537838E+00 0.53409271E+00 0.53279667E+00 0.53148994E+00 0.53017233E+00
|
||
|
0.52884371E+00 0.52750410E+00 0.52615358E+00 0.52479235E+00 0.52342071E+00
|
||
|
0.52203904E+00 0.52064782E+00 0.51924761E+00 0.51783907E+00 0.51642292E+00
|
||
|
0.51499994E+00 0.51357101E+00 0.51213706E+00 0.51069905E+00 0.50925802E+00
|
||
|
0.50781503E+00 0.50637119E+00 0.50492763E+00 0.50348551E+00 0.50204598E+00
|
||
|
0.50061022E+00 0.49917939E+00 0.49775466E+00 0.49633716E+00 0.49492801E+00
|
||
|
0.49352829E+00 0.49213905E+00 0.49076129E+00 0.48939596E+00 0.48804394E+00
|
||
|
0.48670608E+00 0.48538313E+00 0.48407578E+00 0.48278466E+00 0.48151029E+00
|
||
|
0.48025315E+00 0.47901360E+00 0.47779194E+00 0.47658837E+00 0.47540301E+00
|
||
|
0.47423589E+00 0.47308695E+00 0.47195605E+00 0.47084296E+00 0.46974737E+00
|
||
|
0.46866887E+00 0.46760701E+00 0.46656122E+00 0.46553089E+00 0.46451533E+00
|
||
|
0.46351379E+00 0.46252547E+00 0.46154949E+00 0.46058496E+00 0.45963093E+00
|
||
|
0.45868642E+00 0.45775043E+00 0.45682191E+00 0.45589984E+00 0.45498316E+00
|
||
|
0.45407082E+00 0.45316176E+00 0.45225496E+00 0.45134939E+00 0.45044405E+00
|
||
|
0.44953797E+00 0.44863022E+00 0.44771991E+00 0.44680617E+00 0.44588822E+00
|
||
|
0.44496531E+00 0.44403674E+00 0.44310191E+00 0.44216025E+00 0.44121128E+00
|
||
|
0.44025459E+00 0.43928983E+00 0.43831675E+00 0.43733516E+00 0.43634495E+00
|
||
|
0.43534609E+00 0.43433864E+00 0.43332270E+00 0.43229848E+00 0.43126625E+00
|
||
|
0.43022634E+00 0.42917917E+00 0.42812519E+00 0.42706493E+00 0.42599899E+00
|
||
|
0.42492801E+00 0.42385266E+00 0.42277368E+00 0.42169184E+00 0.42060794E+00
|
||
|
0.41952281E+00 0.41843731E+00 0.41735232E+00 0.41626871E+00 0.41518736E+00
|
||
|
0.41410918E+00 0.41303504E+00 0.41196581E+00 0.41090234E+00 0.40984546E+00
|
||
|
0.40879597E+00 0.40775462E+00 0.40672215E+00 0.40569924E+00 0.40468653E+00
|
||
|
0.40368460E+00 0.40269398E+00 0.40171515E+00 0.40074853E+00 0.39979446E+00
|
||
|
0.39885325E+00 0.39792512E+00 0.39701022E+00 0.39610865E+00 0.39522045E+00
|
||
|
0.39434556E+00 0.39348387E+00 0.39263522E+00 0.39179937E+00 0.39097602E+00
|
||
|
0.39016480E+00 0.38936531E+00 0.38857705E+00 0.38779953E+00 0.38703215E+00
|
||
|
0.38627431E+00 0.38552536E+00 0.38478461E+00 0.38405135E+00 0.38332483E+00
|
||
|
0.38260431E+00 0.38188900E+00 0.38117812E+00 0.38047088E+00 0.37976651E+00
|
||
|
0.37906421E+00 0.37836320E+00 0.37766275E+00 0.37696209E+00 0.37626053E+00
|
||
|
0.37555737E+00 0.37485195E+00 0.37414366E+00 0.37343193E+00 0.37271621E+00
|
||
|
0.37199602E+00 0.37127093E+00 0.37054054E+00 0.36980454E+00 0.36906265E+00
|
||
|
0.36831465E+00 0.36756038E+00 0.36679976E+00 0.36603273E+00 0.36525932E+00
|
||
|
0.36447961E+00 0.36369372E+00 0.36290184E+00 0.36210422E+00 0.36130115E+00
|
||
|
0.36049297E+00 0.35968005E+00 0.35886284E+00 0.35804181E+00 0.35721745E+00
|
||
|
0.35639031E+00 0.35556096E+00 0.35473000E+00 0.35389804E+00 0.35306572E+00
|
||
|
0.35223367E+00 0.35140257E+00 0.35057306E+00 0.34974581E+00 0.34892146E+00
|
||
|
0.34810066E+00 0.34728403E+00 0.34647219E+00 0.34566572E+00 0.34486517E+00
|
||
|
0.34407109E+00 0.34328396E+00 0.34250426E+00 0.34173239E+00 0.34096875E+00
|
||
|
0.34021367E+00 0.33946745E+00 0.33873034E+00 0.33800253E+00 0.33728417E+00
|
||
|
0.33657538E+00 0.33587619E+00 0.33518661E+00 0.33450660E+00 0.33383604E+00
|
||
|
0.33317480E+00 0.33252268E+00 0.33187944E+00 0.33124479E+00 0.33061841E+00
|
||
|
0.32999994E+00 0.32938897E+00 0.32878506E+00 0.32818776E+00 0.32759656E+00
|
||
|
0.32701097E+00 0.32643044E+00 0.32585442E+00 0.32528236E+00 0.32471369E+00
|
||
|
gradient corrections used for XC
|
||
|
5
|
||
|
core charge-density (partial)
|
||
|
0.94650637E+00 0.94618697E+00 0.94522941E+00 0.94363557E+00 0.94140860E+00
|
||
|
0.93855287E+00 0.93507401E+00 0.93097882E+00 0.92627531E+00 0.92097264E+00
|
||
|
0.91508111E+00 0.90861210E+00 0.90157804E+00 0.89399240E+00 0.88586961E+00
|
||
|
0.87722502E+00 0.86807486E+00 0.85843618E+00 0.84832682E+00 0.83776533E+00
|
||
|
0.82677089E+00 0.81536331E+00 0.80356294E+00 0.79139060E+00 0.77886753E+00
|
||
|
0.76601533E+00 0.75285590E+00 0.73941135E+00 0.72570401E+00 0.71175629E+00
|
||
|
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|
0.40390417E-07 0.38043939E-07 0.35519566E-07 0.32834207E-07 0.30005407E-07
|
||
|
0.27051244E-07 0.23990216E-07 0.20841133E-07 0.17623008E-07 0.14354947E-07
|
||
|
0.11056041E-07 0.77452625E-08 0.44413577E-08 0.11627487E-08 -0.20725654E-08
|
||
|
-0.52471022E-08 -0.83439849E-08 -0.11347028E-07 -0.14240815E-07 -0.17010775E-07
|
||
|
-0.19643250E-07 -0.22125556E-07 -0.24446040E-07 -0.26594130E-07 -0.28560376E-07
|
||
|
-0.30336486E-07 -0.31915355E-07 -0.33291087E-07 -0.34459011E-07 -0.35415684E-07
|
||
|
-0.36158897E-07 -0.36687667E-07 -0.37002221E-07 -0.37103983E-07 -0.36995542E-07
|
||
|
-0.36680625E-07 -0.36164056E-07 -0.35451714E-07 -0.34550486E-07 -0.33468211E-07
|
||
|
-0.32213624E-07 -0.30796296E-07 -0.29226562E-07 -0.27515461E-07 -0.25674657E-07
|
||
|
-0.23716368E-07 -0.21653288E-07 -0.19498514E-07 -0.17265460E-07 -0.14967783E-07
|
||
|
-0.12619304E-07 -0.10233922E-07 -0.78255440E-08 -0.54080014E-08 -0.29949766E-08
|
||
|
-0.59992844E-09 0.17639795E-08 0.40839479E-08 0.63476078E-08 0.85430831E-08
|
||
|
0.10659050E-07 0.12684790E-07 0.14610247E-07 0.16426064E-07 0.18123634E-07
|
||
|
0.19695133E-07 0.21133554E-07 0.22432732E-07 0.23587367E-07 0.24593046E-07
|
||
|
0.25446247E-07 0.26144352E-07 0.26685644E-07 0.27069310E-07 0.27295427E-07
|
||
|
0.27364950E-07 0.27279698E-07 0.27042328E-07 0.26656307E-07 0.26125887E-07
|
||
|
0.25456065E-07 0.24652548E-07 0.23721708E-07 0.22670540E-07 0.21506613E-07
|
||
|
0.20238022E-07 0.18873331E-07 0.17421524E-07 0.15891944E-07 0.14294241E-07
|
||
|
0.12638310E-07 0.10934234E-07 0.91922278E-08 0.74225734E-08 0.56355668E-08
|
||
|
0.38414589E-08 0.20503986E-08 0.27237824E-09 -0.14828203E-08 -0.32056768E-08
|
||
|
-0.48869823E-08 -0.65178864E-08 -0.80899412E-08 -0.95951429E-08 -0.11025971E-07
|
||
|
-0.12375422E-07 -0.13637043E-07 -0.14804960E-07 -0.15873901E-07 -0.16839220E-07
|
||
|
-0.17696911E-07 -0.18443626E-07 -0.19076680E-07 -0.19594059E-07 -0.19994424E-07
|
||
|
-0.20277107E-07 -0.20442106E-07 -0.20490077E-07 -0.20422320E-07 -0.20240764E-07
|
||
|
-0.19947950E-07 -0.19547003E-07 -0.19041614E-07 -0.18436004E-07 -0.17734901E-07
|
||
|
-0.16943502E-07 -0.16067438E-07 -0.15112742E-07 -0.14085801E-07 -0.12993324E-07
|
||
|
-0.11842297E-07 -0.10639940E-07 -0.93936647E-08 -0.81110292E-08 -0.67996963E-08
|
||
|
-0.54673875E-08 -0.41218402E-08 -0.27707639E-08 -0.14217978E-08 -0.82469236E-10
|
||
|
0.12398470E-08 0.25379676E-08 0.38049382E-08 0.50340692E-08 0.62189696E-08
|
||
|
0.73535787E-08 0.84321956E-08 0.94495061E-08 0.10400608E-07 0.11281031E-07
|
||
|
0.12086759E-07 0.12814244E-07 0.13460422E-07 0.14022722E-07 0.14499075E-07
|
||
|
0.14887918E-07 0.15188197E-07 0.15399367E-07 0.15521387E-07 0.15554716E-07
|
||
|
0.15500300E-07 0.15359564E-07 0.15134399E-07 0.14827140E-07 0.14440553E-07
|
||
|
0.13977812E-07 0.13442474E-07 0.12838459E-07 0.12170018E-07 0.11441711E-07
|
||
|
0.10658373E-07 0.98250838E-08 0.89471406E-08 0.80300218E-08 0.70793557E-08
|
||
|
0.61008873E-08 0.51004445E-08 0.40839046E-08 0.30571611E-08 0.20260905E-08
|
||
|
0.99652017E-09 -0.25804207E-10 -0.10352490E-08 -0.20263230E-08 -0.29937061E-08
|
||
|
-0.39322765E-08 -0.48371375E-08 -0.57036413E-08 -0.65274122E-08 -0.73043674E-08
|
||
|
-0.80307360E-08 -0.87030767E-08 -0.93182923E-08 -0.98736429E-08 -0.10366757E-07
|
||
|
-0.10795640E-07 -0.11158679E-07 -0.11454652E-07 -0.11682724E-07 -0.11842450E-07
|
||
|
-0.11933773E-07 -0.11957017E-07 -0.11912885E-07 -0.11802445E-07 -0.11627125E-07
|
||
|
-0.11388695E-07 -0.11089258E-07 -0.10731232E-07 -0.10317332E-07 -0.98505524E-08
|
||
|
-0.93341476E-08 -0.87716085E-08 -0.81666420E-08 -0.75231470E-08 -0.68451905E-08
|
||
|
-0.61369831E-08 -0.54028534E-08 -0.46472228E-08 -0.38745795E-08 -0.30894529E-08
|
||
|
-0.22963877E-08 -0.14999184E-08 -0.70454432E-09 0.85295252E-10 0.86524499E-09
|
||
|
0.16310568E-08 0.23786123E-08 0.31039440E-08 0.38032559E-08 0.44729424E-08
|
||
|
0.51096063E-08 0.57100751E-08 0.62714160E-08 0.67909495E-08 0.72662615E-08
|
||
|
kinetic energy density (partial)
|
||
|
0.12057744E+03 0.12053648E+03 0.12041368E+03 0.12020928E+03 0.11992370E+03
|
||
|
0.11955749E+03 0.11911138E+03 0.11858625E+03 0.11798313E+03 0.11730322E+03
|
||
|
0.11654782E+03 0.11571842E+03 0.11481663E+03 0.11384416E+03 0.11280290E+03
|
||
|
0.11169482E+03 0.11052202E+03 0.10928669E+03 0.10799114E+03 0.10663775E+03
|
||
|
0.10522901E+03 0.10376747E+03 0.10225575E+03 0.10069653E+03 0.99092562E+02
|
||
|
0.97446620E+02 0.95761527E+02 0.94040134E+02 0.92285315E+02 0.90499956E+02
|
||
|
0.88686952E+02 0.86849194E+02 0.84989565E+02 0.83110934E+02 0.81216145E+02
|
||
|
0.79308015E+02 0.77389324E+02 0.75462807E+02 0.73531157E+02 0.71597008E+02
|
||
|
0.69662937E+02 0.67731459E+02 0.65805017E+02 0.63885985E+02 0.61976658E+02
|
||
|
0.60079250E+02 0.58195895E+02 0.56328638E+02 0.54479436E+02 0.52650156E+02
|
||
|
0.50842571E+02 0.49058360E+02 0.47299109E+02 0.45566304E+02 0.43861337E+02
|
||
|
0.42185504E+02 0.40540003E+02 0.38925935E+02 0.37344306E+02 0.35796029E+02
|
||
|
0.34281922E+02 0.32802710E+02 0.31359030E+02 0.29951427E+02 0.28580363E+02
|
||
|
0.27246212E+02 0.25949268E+02 0.24689744E+02 0.23467777E+02 0.22283428E+02
|
||
|
0.21136687E+02 0.20027477E+02 0.18955652E+02 0.17921004E+02 0.16923268E+02
|
||
|
0.15962119E+02 0.15037180E+02 0.14148023E+02 0.13294174E+02 0.12475114E+02
|
||
|
0.11690283E+02 0.10939082E+02 0.10220881E+02 0.95350129E+01 0.88807860E+01
|
||
|
0.82574807E+01 0.76643546E+01 0.71006449E+01 0.65655715E+01 0.60583387E+01
|
||
|
0.55781388E+01 0.51241537E+01 0.46955577E+01 0.42915197E+01 0.39112053E+01
|
||
|
0.35537789E+01 0.32184055E+01 0.29042531E+01 0.26104938E+01 0.23363059E+01
|
||
|
0.20808753E+01 0.18433972E+01 0.16230771E+01 0.14191325E+01 0.12307938E+01
|
||
|
0.10573055E+01 0.89792696E+00 0.75193382E+00 0.61861831E+00 0.49729023E+00
|
||
|
0.38727750E+00 0.28792680E+00 0.19860398E+00 0.11869450E+00 0.47603772E-01
|
||
|
-0.15242608E-01 -0.70398636E-01 -0.11839778E+00 -0.15975293E+00 -0.19495635E+00
|
||
|
-0.22447974E+00 -0.24877435E+00 -0.26827112E+00 -0.28338082E+00 -0.29449438E+00
|
||
|
-0.30198308E+00 -0.30619890E+00 -0.30747486E+00 -0.30612540E+00 -0.30244677E+00
|
||
|
-0.29671749E+00 -0.28919877E+00 -0.28013500E+00 -0.26975425E+00 -0.25826876E+00
|
||
|
-0.24587549E+00 -0.23275659E+00 -0.21908002E+00 -0.20500005E+00 -0.19065780E+00
|
||
|
-0.17618182E+00 -0.16168866E+00 -0.14728339E+00 -0.13306015E+00 -0.11910274E+00
|
||
|
-0.10548513E+00 -0.92271994E-01 -0.79519270E-01 -0.67274652E-01 -0.55578112E-01
|
||
|
-0.44462401E-01 -0.33953535E-01 -0.24071271E-01 -0.14829573E-01 -0.62370576E-02
|
||
|
0.17025690E-02 0.89900904E-02 0.15630376E-01 0.21631991E-01 0.27006822E-01
|
||
|
0.31769721E-01 0.35938159E-01 0.39531907E-01 0.42572719E-01 0.45084046E-01
|
||
|
0.47090752E-01 0.48618858E-01 0.49695294E-01 0.50347668E-01 0.50604053E-01
|
||
|
0.50492789E-01 0.50042294E-01 0.49280898E-01 0.48236685E-01 0.46937347E-01
|
||
|
0.45410063E-01 0.43681372E-01 0.41777078E-01 0.39722152E-01 0.37540654E-01
|
||
|
0.35255660E-01 0.32889207E-01 0.30462238E-01 0.27994569E-01 0.25504850E-01
|
||
|
0.23010547E-01 0.20527927E-01 0.18072049E-01 0.15656766E-01 0.13294726E-01
|
||
|
0.10997391E-01 0.87750482E-02 0.66368351E-02 0.45907667E-02 0.26437657E-02
|
||
|
0.80169750E-03 -0.93059185E-03 -0.25492350E-02 -0.40512999E-02 -0.54347445E-02
|
||
|
-0.66983701E-02 -0.78417721E-02 -0.88652917E-02 -0.97699645E-02 -0.10557471E-01
|
||
|
-0.11230085E-01 -0.11790625E-01 -0.12242398E-01 -0.12589159E-01 -0.12835053E-01
|
||
|
-0.12984574E-01 -0.13042514E-01 -0.13013918E-01 -0.12904042E-01 -0.12718307E-01
|
||
|
-0.12462264E-01 -0.12141549E-01 -0.11761849E-01 -0.11328866E-01 -0.10848286E-01
|
||
|
-0.10325743E-01 -0.97667981E-02 -0.91769036E-02 -0.85613852E-02 -0.79254163E-02
|
||
|
-0.72739984E-02 -0.66119427E-02 -0.59438538E-02 -0.52741155E-02 -0.46068788E-02
|
||
|
-0.39460511E-02 -0.32952884E-02 -0.26579884E-02 -0.20372855E-02 -0.14360481E-02
|
||
|
-0.85687681E-03 -0.30210421E-03 0.22620339E-03 0.72624336E-03 0.11964727E-02
|
||
|
0.16356030E-02 0.20425938E-02 0.24166456E-02 0.27571916E-02 0.30638887E-02
|
||
|
0.33366078E-02 0.35754233E-02 0.37806022E-02 0.39525930E-02 0.40920135E-02
|
||
|
0.41996391E-02 0.42763901E-02 0.43233196E-02 0.43416007E-02 0.43325142E-02
|
||
|
0.42974358E-02 0.42378239E-02 0.41552075E-02 0.40511737E-02 0.39273567E-02
|
||
|
0.37854259E-02 0.36270749E-02 0.34540113E-02 0.32679460E-02 0.30705838E-02
|
||
|
0.28636143E-02 0.26487027E-02 0.24274824E-02 0.22015468E-02 0.19724425E-02
|
||
|
0.17416632E-02 0.15106431E-02 0.12807526E-02 0.10532929E-02 0.82949210E-03
|
||
|
0.61050207E-03 0.39739509E-03 0.19116169E-03 -0.72911567E-05 -0.19714137E-03
|
||
|
-0.37765248E-03 -0.54817391E-03 -0.70814078E-03 -0.85707322E-03 -0.99457533E-03
|
||
|
-0.11203336E-02 -0.12341152E-02 -0.13357655E-02 -0.14252058E-02 -0.15024303E-02
|
||
|
-0.15675031E-02 -0.16205547E-02 -0.16617785E-02 -0.16914273E-02 -0.17098089E-02
|
||
|
-0.17172823E-02 -0.17142536E-02 -0.17011718E-02 -0.16785244E-02 -0.16468330E-02
|
||
|
-0.16066493E-02 -0.15585504E-02 -0.15031350E-02 -0.14410189E-02 -0.13728307E-02
|
||
|
-0.12992083E-02 -0.12207948E-02 -0.11382344E-02 -0.10521692E-02 -0.96323550E-03
|
||
|
-0.87206066E-03 -0.77925983E-03 -0.68543314E-03 -0.59116293E-03 -0.49701122E-03
|
||
|
-0.40351742E-03 -0.31119623E-03 -0.22053575E-03 -0.13199583E-03 -0.46006574E-04
|
||
|
0.37032810E-04 0.11675509E-03 0.19282578E-03 0.26494377E-03 0.33284165E-03
|
||
|
0.39628598E-03 0.45507727E-03 0.50904976E-03 0.55807111E-03 0.60204188E-03
|
||
|
0.64089480E-03 0.67459399E-03 0.70313397E-03 0.72653856E-03 0.74485969E-03
|
||
|
0.75817603E-03 0.76659162E-03 0.77023434E-03 0.76925436E-03 0.76382246E-03
|
||
|
0.75412836E-03 0.74037901E-03 0.72279676E-03 0.70161768E-03 0.67708964E-03
|
||
|
0.64947065E-03 0.61902695E-03 0.58603134E-03 0.55076141E-03 0.51349780E-03
|
||
|
0.47452262E-03 0.43411778E-03 0.39256343E-03 0.35013654E-03 0.30710943E-03
|
||
|
0.26374842E-03 0.22031261E-03 0.17705265E-03 0.13420968E-03 0.92014300E-04
|
||
|
0.50685679E-04 0.10430711E-04 -0.28556700E-04 -0.66096276E-04 -0.10202190E-03
|
||
|
-0.13618205E-03 -0.16844016E-03 -0.19867487E-03 -0.22678020E-03 -0.25266559E-03
|
||
|
-0.27625593E-03 -0.29749145E-03 -0.31632753E-03 -0.33273448E-03 -0.34669719E-03
|
||
|
-0.35821474E-03 -0.36729997E-03 -0.37397893E-03 -0.37829031E-03 -0.38028487E-03
|
||
|
-0.38002469E-03 -0.37758254E-03 -0.37304108E-03 -0.36649214E-03 -0.35803586E-03
|
||
|
-0.34777995E-03 -0.33583879E-03 -0.32233260E-03 -0.30738665E-03 -0.29113032E-03
|
||
|
-0.27369634E-03 -0.25521990E-03 -0.23583786E-03 -0.21568791E-03 -0.19490781E-03
|
||
|
-0.17363464E-03 -0.15200402E-03 -0.13014945E-03 -0.10820161E-03 -0.86287746E-04
|
||
|
-0.64531056E-04 -0.43050144E-04 -0.21958497E-04 -0.13640215E-05 0.18631392E-04
|
||
|
0.37932243E-04 0.56449763E-04 0.74102198E-04 0.90815055E-04 0.10652130E-03
|
||
|
0.12116148E-03 0.13468389E-03 0.14704455E-03 0.15820728E-03 0.16814364E-03
|
||
|
0.17683288E-03 0.18426181E-03 0.19042467E-03 0.19532295E-03 0.19896513E-03
|
||
|
0.20136649E-03 0.20254880E-03 0.20254000E-03 0.20137390E-03 0.19908980E-03
|
||
|
0.19573214E-03 0.19135008E-03 0.18599713E-03 0.17973070E-03 0.17261168E-03
|
||
|
0.16470403E-03 0.15607430E-03 0.14679124E-03 0.13692532E-03 0.12654829E-03
|
||
|
0.11573280E-03 0.10455191E-03 0.93078724E-04 0.81385953E-04 0.69545546E-04
|
||
|
0.57628306E-04 0.45703531E-04 0.33838675E-04 0.22099024E-04 0.10547397E-04
|
||
|
-0.75613318E-06 -0.11754500E-04 -0.22393872E-04 -0.32623868E-04 -0.42397735E-04
|
||
|
-0.51672515E-04 -0.60409177E-04 -0.68572730E-04 -0.76132304E-04 -0.83061214E-04
|
||
|
-0.89336996E-04 -0.94941419E-04 -0.99860471E-04 -0.10408433E-03 -0.10760730E-03
|
||
|
-0.11042776E-03 -0.11254801E-03 -0.11397422E-03 -0.11471627E-03 -0.11478758E-03
|
||
|
-0.11420496E-03 -0.11298845E-03 -0.11116109E-03 -0.10874874E-03 -0.10577985E-03
|
||
|
-0.10228525E-03 -0.98297917E-04 -0.93852726E-04 -0.88986224E-04 -0.83736377E-04
|
||
|
-0.78142330E-04 -0.72244157E-04 -0.66082622E-04 -0.59698930E-04 -0.53134495E-04
|
||
|
-0.46430702E-04 -0.39628682E-04 -0.32769090E-04 -0.25891894E-04 -0.19036171E-04
|
||
|
-0.12239914E-04 -0.55398474E-05 0.10287412E-05 0.74321625E-05 0.13638471E-04
|
||
|
0.19617599E-04 0.25341476E-04 0.30784134E-04 0.35921803E-04 0.40732983E-04
|
||
|
0.45198513E-04 0.49301617E-04 0.53027939E-04 0.56365565E-04 0.59305029E-04
|
||
|
0.61839309E-04 0.63963802E-04 0.65676298E-04 0.66976930E-04 0.67868119E-04
|
||
|
0.68354508E-04 0.68442883E-04 0.68142082E-04 0.67462904E-04 0.66417997E-04
|
||
|
0.65021746E-04 0.63290159E-04 0.61240732E-04 0.58892323E-04 0.56265015E-04
|
||
|
0.53379979E-04 0.50259326E-04 0.46925969E-04 0.43403478E-04 0.39715930E-04
|
||
|
0.35887769E-04 0.31943661E-04 0.27908355E-04 0.23806540E-04 0.19662714E-04
|
||
|
0.15501053E-04 0.11345283E-04 0.72185626E-05 0.31433633E-05 -0.85863458E-06
|
||
|
-0.47666456E-05 -0.85608733E-05 -0.12222597E-04 -0.15734253E-04 -0.19079500E-04
|
||
|
-0.22243289E-04 -0.25211914E-04 -0.27973057E-04 -0.30515825E-04 -0.32830782E-04
|
||
|
-0.34909965E-04 -0.36746898E-04 -0.38336592E-04 -0.39675544E-04 -0.40761719E-04
|
||
|
-0.41594534E-04 -0.42174825E-04 -0.42504814E-04 -0.42588067E-04 -0.42429442E-04
|
||
|
-0.42035039E-04 -0.41412135E-04 -0.40569119E-04 -0.39515427E-04 -0.38261458E-04
|
||
|
-0.36818507E-04 -0.35198672E-04 -0.33414781E-04 -0.31480297E-04 -0.29409235E-04
|
||
|
-0.27216071E-04 -0.24915655E-04 -0.22523115E-04 -0.20053775E-04 -0.17523063E-04
|
||
|
-0.14946422E-04 -0.12339227E-04 -0.97167015E-05 -0.70938342E-05 -0.44853043E-05
|
||
|
-0.19054055E-05 0.63202521E-06 0.31136735E-05 0.55268109E-05 0.78593527E-05
|
||
|
0.10099911E-04 0.12237845E-04 0.14263301E-04 0.16167252E-04 0.17941534E-04
|
||
|
0.19578867E-04 0.21072882E-04 0.22418136E-04 0.23610122E-04 0.24645278E-04
|
||
|
0.25520983E-04 0.26235557E-04 0.26788246E-04 0.27179214E-04 0.27409518E-04
|
||
|
0.27481086E-04 0.27396689E-04 0.27159912E-04 0.26775109E-04 0.26247375E-04
|
||
|
0.25582495E-04 0.24786900E-04 0.23867620E-04 0.22832235E-04 0.21688817E-04
|
||
|
0.20445881E-04 0.19112325E-04 0.17697377E-04 0.16210534E-04 0.14661510E-04
|
||
|
0.13060170E-04 0.11416480E-04 0.97404455E-05 0.80420569E-05 0.63312353E-05
|
||
|
0.46177783E-05 0.29113085E-05 0.12212236E-05 -0.44335065E-06 -0.20736062E-05
|
||
|
-0.36610949E-05 -0.51977679E-05 -0.66760131E-05 -0.80886883E-05 -0.94291517E-05
|
||
|
-0.10691289E-04 -0.11869538E-04 -0.12958907E-04 -0.13954993E-04 -0.14853993E-04
|
||
|
-0.15652718E-04 -0.16348594E-04 -0.16939665E-04 -0.17424598E-04 -0.17802670E-04
|
||
|
-0.18073767E-04 -0.18238372E-04 -0.18297549E-04 -0.18252927E-04 -0.18106683E-04
|
||
|
-0.17861516E-04 -0.17520624E-04 -0.17087680E-04 -0.16566797E-04 -0.15962502E-04
|
||
|
-0.15279702E-04 -0.14523648E-04 -0.13699902E-04 -0.12814302E-04 -0.11872918E-04
|
||
|
-0.10882024E-04 -0.98480493E-05 -0.87775493E-05 -0.76771608E-05 -0.65535667E-05
|
||
|
-0.54134574E-05 -0.42634938E-05 -0.31102714E-05 -0.19602844E-05 -0.81989249E-06
|
||
|
0.30471269E-06 0.14075381E-05 0.24828192E-05 0.35250474E-05 0.45289961E-05
|
||
|
0.54897446E-05 0.64026997E-05 0.72636149E-05 0.80686085E-05 0.88141777E-05
|
||
|
0.94972118E-05 0.10115002E-04 0.10665250E-04 0.11146073E-04 0.11556006E-04
|
||
|
0.11894003E-04 0.12159438E-04 0.12352096E-04 0.12472171E-04 0.12520258E-04
|
||
|
0.12497338E-04 0.12404771E-04 0.12244282E-04 0.12017940E-04 0.11728144E-04
|
||
|
0.11377606E-04 0.10969327E-04 0.10506576E-04 0.99928705E-05 0.94319482E-05
|
||
|
0.88277458E-05 0.81843728E-05 0.75060856E-05 0.67972621E-05 0.60623749E-05
|
||
|
0.53059650E-05 0.45326161E-05 0.37469277E-05 0.29534902E-05 0.21568591E-05
|
||
|
0.13615310E-05 0.57191906E-06 -0.20766937E-06 -0.97305512E-06 -0.17202080E-05
|
||
|
-0.24452667E-05 -0.31445570E-05 -0.38146093E-05 -0.44521742E-05 -0.50542367E-05
|
||
|
-0.56180292E-05 -0.61410425E-05 -0.66210352E-05 -0.70560422E-05 -0.74443803E-05
|
||
|
-0.77846533E-05 -0.80757550E-05 -0.83168701E-05 -0.85074744E-05 -0.86473327E-05
|
||
|
-0.87364951E-05 -0.87752927E-05 -0.87643306E-05 -0.87044801E-05 -0.85968698E-05
|
||
|
-0.84428753E-05 -0.82441071E-05 -0.80023980E-05 -0.77197898E-05 -0.73985180E-05
|
||
|
-0.70409970E-05 -0.66498031E-05 -0.62276583E-05 -0.57774124E-05 -0.53020257E-05
|
||
|
-0.48045505E-05 -0.42881126E-05 -0.37558935E-05 -0.32111113E-05 -0.26570024E-05
|
||
|
-0.20968036E-05 -0.15337342E-05 -0.97097799E-06 -0.41166683E-06 0.14113624E-06
|
||
|
0.68445271E-06 0.12154037E-05 0.17312245E-05 0.22292777E-05 0.27070660E-05
|
||
|
0.31622441E-05 0.35926285E-05 0.39962078E-05 0.43711508E-05 0.47158139E-05
|
||
|
0.50287470E-05 0.53086989E-05 0.55546210E-05 0.57656696E-05 0.59412079E-05
|
||
|
0.60808061E-05 0.61842404E-05 0.62514913E-05 0.62827405E-05 0.62783668E-05
|
||
|
0.62389409E-05 0.61652192E-05 0.60581371E-05 0.59188008E-05 0.57484787E-05
|
||
|
0.55485918E-05 0.53207036E-05 0.50665094E-05 0.47878246E-05 0.44865730E-05
|
||
|
0.41647747E-05 0.38245331E-05 0.34680224E-05 0.30974742E-05 0.27151644E-05
|
||
|
0.23234000E-05 0.19245057E-05 0.15208111E-05 0.11146372E-05 0.70828448E-06
|
||
|
0.30401964E-06 -0.95935878E-07 -0.48941769E-06 -0.87432959E-06 -0.12486541E-05
|
||
|
-0.16104625E-05 -0.19579240E-05 -0.22893149E-05 -0.26030258E-05 -0.28975696E-05
|
||
|
-0.31715872E-05 -0.34238538E-05 -0.36532831E-05 -0.38589317E-05 -0.40400021E-05
|
||
|
-0.41958447E-05 -0.43259598E-05 -0.44299976E-05 -0.45077582E-05 -0.45591907E-05
|
||
|
-0.45843909E-05 -0.45835989E-05 -0.45571958E-05 -0.45056991E-05 -0.44297583E-05
|
||
|
-0.43301492E-05 -0.42077678E-05 -0.40636237E-05 -0.38988327E-05 -0.37146092E-05
|
||
|
-0.35122581E-05 -0.32931662E-05 -0.30587934E-05 -0.28106636E-05 -0.25503553E-05
|
||
|
-0.22794921E-05 -0.19997330E-05 -0.17127630E-05 -0.14202829E-05 -0.11240002E-05
|
||
|
-0.82561913E-06 -0.52683166E-06 -0.22930795E-06 0.65312410E-07 0.35542905E-06
|
||
|
0.63948916E-06 0.91599537E-06 0.11835133E-05 0.14406786E-05 0.16862035E-05
|
||
|
0.19188830E-05 0.21376000E-05 0.23413307E-05 0.25291489E-05 0.27002294E-05
|
||
|
0.28538516E-05 0.29894017E-05 0.31063748E-05 0.32043763E-05 0.32831223E-05
|
||
|
0.33424396E-05 0.33822655E-05 0.34026463E-05 0.34037357E-05 0.33857923E-05
|
||
|
0.33491769E-05 0.32943491E-05 0.32218633E-05 0.31323643E-05 0.30265827E-05
|
||
|
0.29053295E-05 0.27694905E-05 0.26200205E-05 0.24579372E-05 0.22843142E-05
|
||
|
0.21002748E-05 0.19069851E-05 0.17056464E-05 0.14974889E-05 0.12837638E-05
|
||
|
0.10657366E-05 0.84467934E-06 0.62186408E-06 0.39855545E-06 0.17600389E-06
|
||
|
-0.44561103E-07 -0.26193750E-06 -0.47495704E-06 -0.68249125E-06 -0.88345713E-06
|
||
|
-0.10768226E-05 -0.12616114E-05 -0.14369081E-05 -0.16018618E-05 -0.17556907E-05
|
||
|
-0.18976846E-05 -0.20272090E-05 -0.21437066E-05 -0.22466999E-05 -0.23357928E-05
|
||
|
-0.24106715E-05 -0.24711052E-05 -0.25169466E-05 -0.25481311E-05 -0.25646766E-05
|
||
|
-0.25666818E-05 -0.25543251E-05 -0.25278622E-05 -0.24876240E-05 -0.24340134E-05
|
||
|
-0.23675024E-05 -0.22886287E-05 -0.21979914E-05 -0.20962475E-05 -0.19841070E-05
|
||
|
-0.18623284E-05 -0.17317143E-05 -0.15931058E-05 -0.14473775E-05 -0.12954325E-05
|
||
|
-0.11381967E-05 -0.97661375E-06 -0.81163909E-06 -0.64423495E-06 -0.47536471E-06
|
||
|
-0.30598762E-06 -0.13705352E-06 0.30502295E-07 0.19576407E-06 0.35784044E-06
|
||
|
0.51586901E-06 0.66902080E-06 0.81650443E-06 0.95756998E-06 0.10915127E-05
|
||
|
0.12176761E-05 0.13354555E-05 0.14443002E-05 0.15437160E-05 0.16332673E-05
|
||
|
0.17125789E-05 0.17813372E-05 0.18392908E-05 0.18862518E-05 0.19220957E-05
|
||
|
0.19467612E-05 0.19602498E-05 0.19626252E-05 0.19540120E-05 0.19345944E-05
|
||
|
0.19046142E-05 0.18643689E-05 0.18142095E-05 0.17545376E-05 0.16858026E-05
|
||
|
0.16084991E-05 0.15231628E-05 0.14303676E-05 0.13307219E-05 0.12248647E-05
|
||
|
0.11134614E-05 0.99720035E-06 0.87678844E-06 0.75294691E-06 0.62640733E-06
|
||
|
0.49790731E-06 0.36818639E-06 0.23798193E-06 0.10802500E-06 -0.20963558E-07
|
||
|
-0.14827701E-06 -0.27322647E-06 -0.39514453E-06 -0.51338866E-06 -0.62734451E-06
|
||
|
-0.73642893E-06 -0.84009288E-06 -0.93782400E-06 -0.10291491E-05 -0.11136362E-05
|
||
|
-0.11908964E-05 -0.12605860E-05 -0.13224069E-05 -0.13761087E-05 -0.14214890E-05
|
||
|
-0.14583940E-05 -0.14867188E-05 -0.15064075E-05 -0.15174529E-05 -0.15198957E-05
|
||
|
-0.15138242E-05 -0.14993727E-05 -0.14767207E-05 -0.14460911E-05 -0.14077484E-05
|
||
|
-0.13619969E-05 -0.13091785E-05 -0.12496705E-05 -0.11838827E-05 -0.11122550E-05
|
||
|
-0.10352549E-05 -0.95337400E-06 -0.86712535E-06 -0.77704033E-06 -0.68366542E-06
|
||
|
-0.58755900E-06 -0.48928816E-06 -0.38942542E-06 -0.28854548E-06 -0.18722206E-06
|
||
|
-0.86024674E-07 0.14484442E-07 0.11375338E-06 0.21124351E-06 0.30643227E-06
|
||
|
0.39881594E-06 0.48791218E-06 0.57326246E-06 0.65443434E-06 0.73102357E-06
|
||
|
atomic pseudo charge-density
|
||
|
0.16000000E+02 0.15986716E+02 0.15947066E+02 0.15881654E+02 0.15791450E+02
|
||
|
0.15677748E+02 0.15542108E+02 0.15386288E+02 0.15212178E+02 0.15021731E+02
|
||
|
0.14816907E+02 0.14599614E+02 0.14371673E+02 0.14134784E+02 0.13890504E+02
|
||
|
0.13640240E+02 0.13385242E+02 0.13126608E+02 0.12865293E+02 0.12602118E+02
|
||
|
0.12337784E+02 0.12072888E+02 0.11807932E+02 0.11543342E+02 0.11279476E+02
|
||
|
0.11016636E+02 0.10755081E+02 0.10495031E+02 0.10236677E+02 0.99801836E+01
|
||
|
0.97256996E+01 0.94733572E+01 0.92232768E+01 0.89755697E+01 0.87303400E+01
|
||
|
0.84876860E+01 0.82477012E+01 0.80104753E+01 0.77760951E+01 0.75446441E+01
|
||
|
0.73162033E+01 0.70908513E+01 0.68686639E+01 0.66497146E+01 0.64340740E+01
|
||
|
0.62218099E+01 0.60129871E+01 0.58076674E+01 0.56059091E+01 0.54077671E+01
|
||
|
0.52132926E+01 0.50225332E+01 0.48355325E+01 0.46523299E+01 0.44729611E+01
|
||
|
0.42974572E+01 0.41258455E+01 0.39581486E+01 0.37943853E+01 0.36345697E+01
|
||
|
0.34787118E+01 0.33268175E+01 0.31788882E+01 0.30349214E+01 0.28949104E+01
|
||
|
0.27588447E+01 0.26267095E+01 0.24984865E+01 0.23741536E+01 0.22536851E+01
|
||
|
0.21370517E+01 0.20242207E+01 0.19151563E+01 0.18098195E+01 0.17081682E+01
|
||
|
0.16101574E+01 0.15157395E+01 0.14248642E+01 0.13374786E+01 0.12535278E+01
|
||
|
0.11729543E+01 0.10956987E+01 0.10216996E+01 0.95089403E+00 0.88321705E+00
|
||
|
0.81860233E+00 0.75698213E+00 0.69828745E+00 0.64244814E+00 0.58939306E+00
|
||
|
0.53905018E+00 0.49134673E+00 0.44620931E+00 0.40356402E+00 0.36333657E+00
|
||
|
0.32545240E+00 0.28983682E+00 0.25641507E+00 0.22511248E+00 0.19585457E+00
|
||
|
0.16856711E+00 0.14317629E+00 0.11960874E+00 0.97791708E-01 0.77653081E-01
|
||
|
0.59121515E-01 0.42126504E-01 0.26598466E-01 0.12468815E-01 -0.32995659E-03
|
||
|
-0.11864215E-01 -0.22199113E-01 -0.31398533E-01 -0.39525021E-01 -0.46639739E-01
|
||
|
-0.52802407E-01 -0.58071261E-01 -0.62503009E-01 -0.66152787E-01 -0.69074132E-01
|
||
|
-0.71318941E-01 -0.72937453E-01 -0.73978219E-01 -0.74488083E-01 -0.74512173E-01
|
||
|
-0.74093877E-01 -0.73274848E-01 -0.72094989E-01 -0.70592458E-01 -0.68803670E-01
|
||
|
-0.66763299E-01 -0.64504294E-01 -0.62057889E-01 -0.59453615E-01 -0.56719325E-01
|
||
|
-0.53881216E-01 -0.50963847E-01 -0.47990175E-01 -0.44981581E-01 -0.41957901E-01
|
||
|
-0.38937465E-01 -0.35937133E-01 -0.32972331E-01 -0.30057097E-01 -0.27204119E-01
|
||
|
-0.24424782E-01 -0.21729215E-01 -0.19126333E-01 -0.16623891E-01 -0.14228528E-01
|
||
|
-0.11945821E-01 -0.97803320E-02 -0.77356603E-02 -0.58144940E-02 -0.40186610E-02
|
||
|
-0.23491803E-02 -0.80631334E-03 0.61038493E-03 0.19020155E-02 0.30702851E-02
|
||
|
0.41174569E-02 0.50463021E-02 0.58600515E-02 0.65623495E-02 0.71572080E-02
|
||
|
0.76489620E-02 0.80422270E-02 0.83418565E-02 0.85529022E-02 0.86805752E-02
|
||
|
0.87302089E-02 0.87072232E-02 0.86170913E-02 0.84653071E-02 0.82573555E-02
|
||
|
0.79986834E-02 0.76946738E-02 0.73506204E-02 0.69717052E-02 0.65629772E-02
|
||
|
0.61293332E-02 0.56755010E-02 0.52060229E-02 0.47252431E-02 0.42372947E-02
|
||
|
0.37460901E-02 0.32553125E-02 0.27684083E-02 0.22885825E-02 0.18187947E-02
|
||
|
0.13617565E-02 0.91993069E-03 0.49553203E-03 0.90528459E-04 -0.29335572E-03
|
||
|
-0.65463591E-03 -0.99206209E-03 -0.13046128E-02 -0.15914880E-02 -0.18521016E-02
|
||
|
-0.20860726E-02 -0.22932162E-02 -0.24735336E-02 -0.26272022E-02 -0.27545645E-02
|
||
|
-0.28561170E-02 -0.29324993E-02 -0.29844818E-02 -0.30129546E-02 -0.30189154E-02
|
||
|
-0.30034577E-02 -0.29677592E-02 -0.29130699E-02 -0.28407009E-02 -0.27520129E-02
|
||
|
-0.26484055E-02 -0.25313064E-02 -0.24021609E-02 -0.22624224E-02 -0.21135427E-02
|
||
|
-0.19569628E-02 -0.17941051E-02 -0.16263644E-02 -0.14551016E-02 -0.12816357E-02
|
||
|
-0.11072384E-02 -0.93312785E-03 -0.76046358E-03 -0.59034206E-03 -0.42379267E-03
|
||
|
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|
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0.83395835E-09 -0.10191276E-06 -0.20292775E-06 -0.30155943E-06 -0.39717866E-06
|
||
|
-0.48918273E-06 -0.57699904E-06 -0.66008859E-06 -0.73794921E-06 -0.81011851E-06
|
||
|
-0.87617652E-06 -0.93574803E-06 -0.98850466E-06 -0.10341665E-05 -0.10725035E-05
|
||
|
-0.11033364E-05 -0.11265375E-05 -0.11420311E-05 -0.11497932E-05 -0.11498510E-05
|
||
|
-0.11422829E-05 -0.11272167E-05 -0.11048286E-05 -0.10753415E-05 -0.10390231E-05
|
||
|
-0.99618343E-06 -0.94717274E-06 -0.89237848E-06 -0.83222243E-06 -0.76715763E-06
|
||
|
-0.69766497E-06 -0.62424977E-06 -0.54743820E-06 -0.46777354E-06 -0.38581246E-06
|
||
|
18.8972598857892 T
|
||
|
Non local Part
|
||
|
1 2 1.07991489651719
|
||
|
-8.20498800077556 -13.3152567466562 -13.3152567466562
|
||
|
12.0930452589439
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.13416230E+00 0.26828774E+00 0.40233053E+00 0.53622735E+00
|
||
|
0.66988909E+00 0.80319333E+00 0.93597764E+00 0.10680340E+01 0.11991043E+01
|
||
|
0.13288775E+01 0.14569876E+01 0.15830140E+01 0.17064823E+01 0.18268681E+01
|
||
|
0.19436007E+01 0.20560694E+01 0.21636310E+01 0.22656179E+01 0.23613477E+01
|
||
|
0.24501340E+01 0.25312972E+01 0.26041762E+01 0.26681402E+01 0.27226004E+01
|
||
|
0.27670216E+01 0.28009332E+01 0.28239394E+01 0.28357288E+01 0.28360825E+01
|
||
|
0.28248806E+01 0.28021083E+01 0.27678590E+01 0.27223369E+01 0.26658569E+01
|
||
|
0.25988435E+01 0.25218273E+01 0.24354400E+01 0.23404077E+01 0.22375428E+01
|
||
|
0.21277343E+01 0.20119365E+01 0.18911576E+01 0.17664462E+01 0.16388782E+01
|
||
|
0.15095426E+01 0.13795275E+01 0.12499060E+01 0.11217225E+01 0.99597961E+00
|
||
|
0.87362543E+00 0.75554248E+00 0.64253719E+00 0.53533103E+00 0.43455292E+00
|
||
|
0.34073338E+00 0.25430013E+00 0.17557551E+00 0.10477553E+00 0.42010643E-01
|
||
|
-0.12711923E-01 -0.59484200E-01 -0.98492115E-01 -0.13000879E+00 -0.15438668E+00
|
||
|
-0.17204871E+00 -0.18347859E+00 -0.18921050E+00 -0.18981840E+00 -0.18590506E+00
|
||
|
-0.17809110E+00 -0.16700425E+00 -0.15326887E+00 -0.13749615E+00 -0.12027491E+00
|
||
|
-0.10216327E+00 -0.83681275E-01 -0.65304605E-01 -0.47459377E-01 -0.30518144E-01
|
||
|
-0.14797102E-01 -0.55448663E-03 0.12009846E-01 0.22753706E-01 0.31590796E-01
|
||
|
0.38487960E-01 0.43461555E-01 0.46573067E-01 0.47924088E-01 0.47650806E-01
|
||
|
0.45918120E-01 0.42913554E-01 0.38841074E-01 0.33914967E-01 0.28353901E-01
|
||
|
0.22375283E-01 0.16190014E-01 0.99977498E-02 0.39827310E-02 -0.16897560E-02
|
||
|
Real Space Part
|
||
|
0.00000000E+00 0.67791260E+00 0.13537643E+01 0.20254988E+01 0.26910693E+01
|
||
|
0.33484434E+01 0.39956077E+01 0.46305730E+01 0.52513794E+01 0.58561018E+01
|
||
|
0.64428552E+01 0.70098005E+01 0.75551504E+01 0.80771754E+01 0.85742104E+01
|
||
|
0.90446608E+01 0.94870096E+01 0.98998237E+01 0.10281761E+02 0.10631579E+02
|
||
|
0.10948137E+02 0.11230410E+02 0.11477490E+02 0.11688595E+02 0.11863077E+02
|
||
|
0.12000425E+02 0.12100274E+02 0.12162410E+02 0.12186773E+02 0.12173465E+02
|
||
|
0.12122752E+02 0.12035068E+02 0.11911015E+02 0.11751370E+02 0.11557079E+02
|
||
|
0.11329263E+02 0.11069214E+02 0.10778392E+02 0.10458422E+02 0.10111093E+02
|
||
|
0.97383445E+01 0.93422690E+01 0.89250975E+01 0.84891928E+01 0.80370389E+01
|
||
|
0.75712295E+01 0.70944556E+01 0.66094922E+01 0.61191834E+01 0.56264276E+01
|
||
|
0.51341612E+01 0.46453415E+01 0.41629298E+01 0.36898733E+01 0.32290864E+01
|
||
|
0.27834331E+01 0.23557073E+01 0.19486153E+01 0.15647563E+01 0.12066050E+01
|
||
|
0.87649373E+00 0.57659503E+00 0.30890302E+00 0.75184445E-01 -0.12388782E+00
|
||
|
-0.30641995E+00 -0.47811807E+00 -0.63560604E+00 -0.77607520E+00 -0.89715103E+00
|
||
|
-0.99687644E+00 -0.10736995E+01 -0.11264636E+01 -0.11543931E+01 -0.11570810E+01
|
||
|
-0.11344733E+01 -0.10868522E+01 -0.10148195E+01 -0.91927771E+00 -0.80141242E+00
|
||
|
-0.66267719E+00 -0.50470004E+00 -0.32876385E+00 -0.13968194E+00 0.11221601E-01
|
||
|
-0.31520174E-03 -0.22523103E-03 0.17426144E-04 0.41268378E-05 -0.73821330E-06
|
||
|
-0.37114569E-07 0.22182634E-07 -0.19732632E-08 -0.34334720E-09 0.10943717E-09
|
||
|
-0.95886152E-11 -0.16069241E-11 0.61508323E-12 -0.74169693E-13 0.00000000E+00
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.47615790E+00 0.94556521E+00 0.14015742E+01 0.18377410E+01
|
||
|
0.22479236E+01 0.26263743E+01 0.29678257E+01 0.32675690E+01 0.35215228E+01
|
||
|
0.37262913E+01 0.38792116E+01 0.39783888E+01 0.40227184E+01 0.40118959E+01
|
||
|
0.39464139E+01 0.38275464E+01 0.36573198E+01 0.34384738E+01 0.31744099E+01
|
||
|
0.28691310E+01 0.25271715E+01 0.21535202E+01 0.17535370E+01 0.13328648E+01
|
||
|
0.89733887E+00 0.45289397E+00 0.54720795E-02 -0.43906839E+00 -0.87504026E+00
|
||
|
-0.12970106E+01 -0.16998779E+01 -0.20789421E+01 -0.24299665E+01 -0.27492309E+01
|
||
|
-0.30335743E+01 -0.32804283E+01 -0.34878396E+01 -0.36544811E+01 -0.37796538E+01
|
||
|
-0.38632772E+01 -0.39058700E+01 -0.39085221E+01 -0.38728570E+01 -0.38009878E+01
|
||
|
-0.36954654E+01 -0.35592215E+01 -0.33955079E+01 -0.32078312E+01 -0.29998871E+01
|
||
|
-0.27754930E+01 -0.25385215E+01 -0.22928351E+01 -0.20422247E+01 -0.17903508E+01
|
||
|
-0.15406901E+01 -0.12964873E+01 -0.10607127E+01 -0.83602773E+00 -0.62475576E+00
|
||
|
-0.42886163E+00 -0.24993787E+00 -0.89198333E-01 0.52521006E-01 0.17475448E+00
|
||
|
0.27739286E+00 0.36066362E+00 0.42510612E+00 0.47154231E+00 0.50104373E+00
|
||
|
0.51489570E+00 0.51455948E+00 0.50163316E+00 0.47781227E+00 0.44485077E+00
|
||
|
0.40452320E+00 0.35858875E+00 0.30875777E+00 0.25666135E+00 0.20382436E+00
|
||
|
0.15164240E+00 0.10136284E+00 0.54070103E-01 0.10675384E-01 -0.28089342E-01
|
||
|
-0.61673100E-01 -0.89703679E-01 -0.11198166E+00 -0.12847104E+00 -0.13928693E+00
|
||
|
-0.14468060E+00 -0.14502256E+00 -0.14078403E+00 -0.13251734E+00 -0.12083581E+00
|
||
|
-0.10639357E+00 -0.89865755E-01 -0.71929578E-01 -0.53246619E-01 -0.34446706E-01
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.12203260E+01 -0.24355660E+01 -0.36406515E+01 -0.48305487E+01
|
||
|
-0.60002767E+01 -0.71449243E+01 -0.82596682E+01 -0.93397908E+01 -0.10380698E+02
|
||
|
-0.11377936E+02 -0.12327211E+02 -0.13224408E+02 -0.14065605E+02 -0.14847097E+02
|
||
|
-0.15565406E+02 -0.16217308E+02 -0.16799843E+02 -0.17310337E+02 -0.17746417E+02
|
||
|
-0.18106026E+02 -0.18387443E+02 -0.18589292E+02 -0.18710562E+02 -0.18750615E+02
|
||
|
-0.18709200E+02 -0.18586463E+02 -0.18382958E+02 -0.18099647E+02 -0.17737916E+02
|
||
|
-0.17299570E+02 -0.16786835E+02 -0.16202364E+02 -0.15549224E+02 -0.14830898E+02
|
||
|
-0.14051272E+02 -0.13214629E+02 -0.12325629E+02 -0.11389299E+02 -0.10411010E+02
|
||
|
-0.93964568E+01 -0.83516345E+01 -0.72828101E+01 -0.61964938E+01 -0.50994070E+01
|
||
|
-0.39984478E+01 -0.29006548E+01 -0.18131686E+01 -0.74319149E+00 0.30205392E+00
|
||
|
0.13153684E+01 0.22896199E+01 0.32177885E+01 0.40930120E+01 0.49086314E+01
|
||
|
0.56582364E+01 0.63357105E+01 0.69352747E+01 0.74515311E+01 0.78795040E+01
|
||
|
0.82146796E+01 0.84530440E+01 0.85911259E+01 0.86261341E+01 0.85586876E+01
|
||
|
0.84493152E+01 0.83202163E+01 0.81646323E+01 0.79772389E+01 0.77537257E+01
|
||
|
0.74907459E+01 0.71858812E+01 0.68376159E+01 0.64452970E+01 0.60091022E+01
|
||
|
0.55299976E+01 0.50096947E+01 0.44506075E+01 0.38558029E+01 0.32289573E+01
|
||
|
0.25743236E+01 0.18964272E+01 0.11982980E+01 0.49483967E+00 -0.39433836E-01
|
||
|
0.11076448E-02 0.79148034E-03 -0.61236901E-04 -0.14502047E-04 0.25941422E-05
|
||
|
0.13042364E-06 -0.77951598E-07 0.69342093E-08 0.12065496E-08 -0.38457152E-09
|
||
|
0.33695822E-10 0.56476763E-11 -0.21613489E-11 0.25957131E-12 0.00000000E+00
|
||
|
Non local Part
|
||
|
2 2 1.07991489651719
|
||
|
44.2173821836863 43.1331339555806 43.1331339555806
|
||
|
42.0723439567732
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 -0.18462630E+00 -0.73384577E+00 -0.16337706E+01 -0.28615544E+01
|
||
|
-0.43858370E+01 -0.61673559E+01 -0.81597142E+01 -0.10310292E+02 -0.12561283E+02
|
||
|
-0.14850842E+02 -0.17114320E+02 -0.19285564E+02 -0.21298256E+02 -0.23087280E+02
|
||
|
-0.24590069E+02 -0.25747925E+02 -0.26507279E+02 -0.26820870E+02 -0.26648811E+02
|
||
|
-0.25959535E+02 -0.24730581E+02 -0.22949230E+02 -0.20612942E+02 -0.17729620E+02
|
||
|
-0.14317657E+02 -0.10405795E+02 -0.60327703E+01 -0.12467646E+01 0.38953385E+01
|
||
|
0.93288744E+01 0.14982483E+02 0.20779337E+02 0.26638497E+02 0.32476355E+02
|
||
|
0.38208151E+02 0.43749527E+02 0.49018090E+02 0.53934948E+02 0.58426192E+02
|
||
|
0.62424288E+02 0.65869362E+02 0.68710331E+02 0.70905876E+02 0.72425219E+02
|
||
|
0.73248702E+02 0.73368138E+02 0.72786946E+02 0.71520051E+02 0.69593549E+02
|
||
|
0.67044167E+02 0.63918495E+02 0.60272038E+02 0.56168086E+02 0.51676445E+02
|
||
|
0.46872037E+02 0.41833418E+02 0.36641239E+02 0.31376674E+02 0.26119873E+02
|
||
|
0.20948446E+02 0.15936035E+02 0.11150982E+02 0.66551438E+01 0.25028601E+01
|
||
|
-0.12598989E+01 -0.45961853E+01 -0.74785201E+01 -0.98891263E+01 -0.11819947E+02
|
||
|
-0.13272452E+02 -0.14257243E+02 -0.14793470E+02 -0.14908079E+02 -0.14634908E+02
|
||
|
-0.14013662E+02 -0.13088791E+02 -0.11908302E+02 -0.10522527E+02 -0.89828991E+01
|
||
|
-0.73407341E+01 -0.56460783E+01 -0.39466268E+01 -0.22867454E+01 -0.70661638E+00
|
||
|
0.75847835E+00 0.20787206E+01 0.32301592E+01 0.41949489E+01 0.49614249E+01
|
||
|
0.55240171E+01 0.58830147E+01 0.60441913E+01 0.60183078E+01 0.58205099E+01
|
||
|
0.54696427E+01 0.49875031E+01 0.43980528E+01 0.37266156E+01 0.29990823E+01
|
||
|
Real Space Part
|
||
|
0.00000000E+00 0.51377658E+00 0.20518162E+01 0.46042641E+01 0.81547473E+01
|
||
|
0.12680452E+02 0.18152234E+02 0.24534753E+02 0.31786652E+02 0.39860750E+02
|
||
|
0.48704281E+02 0.58259152E+02 0.68462243E+02 0.79245723E+02 0.90537410E+02
|
||
|
0.10226115E+03 0.11433723E+03 0.12668280E+03 0.13921236E+03 0.15183825E+03
|
||
|
0.16447112E+03 0.17702049E+03 0.18939532E+03 0.20150453E+03 0.21325758E+03
|
||
|
0.22456512E+03 0.23533948E+03 0.24549538E+03 0.25495040E+03 0.26362569E+03
|
||
|
0.27144645E+03 0.27834254E+03 0.28424902E+03 0.28910665E+03 0.29286238E+03
|
||
|
0.29546982E+03 0.29688964E+03 0.29708991E+03 0.29604648E+03 0.29374317E+03
|
||
|
0.29017205E+03 0.28533351E+03 0.27923638E+03 0.27189793E+03 0.26334377E+03
|
||
|
0.25360775E+03 0.24273174E+03 0.23076528E+03 0.21776530E+03 0.20379556E+03
|
||
|
0.18892623E+03 0.17323320E+03 0.15679748E+03 0.13970442E+03 0.12204290E+03
|
||
|
0.10390451E+03 0.85382588E+02 0.66571294E+02 0.47564592E+02 0.28455227E+02
|
||
|
0.93336717E+01 -0.97129347E+01 -0.28601719E+02 -0.47253282E+02 -0.65545114E+02
|
||
|
-0.82292662E+02 -0.96952039E+02 -0.10951231E+03 -0.11996929E+03 -0.12833294E+03
|
||
|
-0.13462813E+03 -0.13889494E+03 -0.14118873E+03 -0.14158024E+03 -0.14015541E+03
|
||
|
-0.13701529E+03 -0.13227571E+03 -0.12606688E+03 -0.11853296E+03 -0.10983138E+03
|
||
|
-0.10013225E+03 -0.89617557E+02 -0.78480175E+02 -0.66923109E+02 -0.55158155E+02
|
||
|
-0.43405074E+02 -0.31890132E+02 -0.20844908E+02 -0.10504959E+02 -0.11083930E+01
|
||
|
0.71056260E+01 0.13898323E+02 0.19032839E+02 0.22275811E+02 0.23400334E+02
|
||
|
0.22178426E+02 0.18391598E+02 0.12069164E+02 0.16288298E+01 0.00000000E+00
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.18825068E+00 0.74836576E+00 0.16665242E+01 0.29199888E+01
|
||
|
0.44775474E+01 0.63001201E+01 0.83415211E+01 0.10549362E+02 0.12866082E+02
|
||
|
0.15230084E+02 0.17576957E+02 0.19840766E+02 0.21955378E+02 0.23855813E+02
|
||
|
0.25479578E+02 0.26767971E+02 0.27667326E+02 0.28130177E+02 0.28116311E+02
|
||
|
0.27593697E+02 0.26539270E+02 0.24939543E+02 0.22791050E+02 0.20100597E+02
|
||
|
0.16885314E+02 0.13172513E+02 0.89993411E+01 0.44122390E+01 -0.53378269E+00
|
||
|
-0.57760488E+01 -0.11245281E+02 -0.16866800E+02 -0.22561849E+02 -0.28249001E+02
|
||
|
-0.33845646E+02 -0.39269502E+02 -0.44440136E+02 -0.49280465E+02 -0.53718197E+02
|
||
|
-0.57687188E+02 -0.61128685E+02 -0.63992432E+02 -0.66237613E+02 -0.67833606E+02
|
||
|
-0.68760545E+02 -0.69009664E+02 -0.68583428E+02 -0.67495433E+02 -0.65770090E+02
|
||
|
-0.63442098E+02 -0.60555708E+02 -0.57163805E+02 -0.53326821E+02 -0.49111508E+02
|
||
|
-0.44589593E+02 -0.39836348E+02 -0.34929104E+02 -0.29945748E+02 -0.24963222E+02
|
||
|
-0.20056074E+02 -0.15295076E+02 -0.10745953E+02 -0.64682338E+01 -0.25142655E+01
|
||
|
0.10716084E+01 0.42536748E+01 0.70052810E+01 0.93090593E+01 0.11156945E+02
|
||
|
0.12549993E+02 0.13498002E+02 0.14018953E+02 0.14138294E+02 0.13888075E+02
|
||
|
0.13305968E+02 0.12434194E+02 0.11318386E+02 0.10006419E+02 0.85472327E+01
|
||
|
0.69896729E+01 0.53813895E+01 0.37678038E+01 0.21911757E+01 0.68978759E+00
|
||
|
-0.70273913E+00 -0.19579816E+01 -0.30531006E+01 -0.39710678E+01 -0.47007376E+01
|
||
|
-0.52367654E+01 -0.55793834E+01 -0.57340434E+01 -0.57109436E+01 -0.55244555E+01
|
||
|
-0.51924705E+01 -0.47356891E+01 -0.41768715E+01 -0.35400746E+01 -0.28498946E+01
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.48227615E+00 -0.19259924E+01 -0.43218270E+01 -0.76542931E+01
|
||
|
-0.11901813E+02 -0.17036822E+02 -0.23025901E+02 -0.29829943E+02 -0.37404339E+02
|
||
|
-0.45699208E+02 -0.54659642E+02 -0.64225990E+02 -0.74334163E+02 -0.84915977E+02
|
||
|
-0.95899509E+02 -0.10720949E+03 -0.11876773E+03 -0.13049355E+03 -0.14230424E+03
|
||
|
-0.15411555E+03 -0.16584219E+03 -0.17739838E+03 -0.18869832E+03 -0.19965680E+03
|
||
|
-0.21018973E+03 -0.22021468E+03 -0.22965150E+03 -0.23842280E+03 -0.24645459E+03
|
||
|
-0.25367674E+03 -0.26002360E+03 -0.26543441E+03 -0.26985387E+03 -0.27323256E+03
|
||
|
-0.27552736E+03 -0.27670183E+03 -0.27672659E+03 -0.27557958E+03 -0.27324630E+03
|
||
|
-0.26972004E+03 -0.26500194E+03 -0.25910114E+03 -0.25203470E+03 -0.24382757E+03
|
||
|
-0.23451246E+03 -0.22412959E+03 -0.21272644E+03 -0.20035739E+03 -0.18708325E+03
|
||
|
-0.17297081E+03 -0.15809224E+03 -0.14252444E+03 -0.12634837E+03 -0.10964826E+03
|
||
|
-0.92510798E+02 -0.75024281E+02 -0.57277678E+02 -0.39359703E+02 -0.21357832E+02
|
||
|
-0.33573138E+01 0.14559833E+02 0.32315701E+02 0.49835732E+02 0.67004444E+02
|
||
|
0.82697491E+02 0.96399960E+02 0.10810340E+03 0.11780572E+03 0.12551816E+03
|
||
|
0.13126606E+03 0.13508912E+03 0.13704142E+03 0.13719156E+03 0.13562244E+03
|
||
|
0.13243121E+03 0.12772889E+03 0.12164004E+03 0.11430234E+03 0.10586591E+03
|
||
|
0.96492755E+02 0.86356045E+02 0.75639126E+02 0.64534816E+02 0.53244144E+02
|
||
|
0.41975555E+02 0.30943542E+02 0.20367505E+02 0.10470495E+02 0.14778660E+01
|
||
|
-0.63841387E+01 -0.12889751E+02 -0.17815121E+02 -0.20939802E+02 -0.22049557E+02
|
||
|
-0.20929218E+02 -0.17372684E+02 -0.11408333E+02 -0.15401806E+01 0.00000000E+00
|
||
|
Non local Part
|
||
|
0 2 1.07991489651719
|
||
|
3.85469055678284 9.01330111108626 9.01330111108626
|
||
|
21.1533637116956
|
||
|
Reciprocal Space Part
|
||
|
-0.12836504E+02 -0.13037497E+02 -0.13636592E+02 -0.14622218E+02 -0.15975346E+02
|
||
|
-0.17669866E+02 -0.19673114E+02 -0.21946513E+02 -0.24446345E+02 -0.27124606E+02
|
||
|
-0.29929954E+02 -0.32808713E+02 -0.35705910E+02 -0.38566340E+02 -0.41335617E+02
|
||
|
-0.43961202E+02 -0.46393380E+02 -0.48586177E+02 -0.50498176E+02 -0.52093249E+02
|
||
|
-0.53341161E+02 -0.54218051E+02 -0.54706780E+02 -0.54797140E+02 -0.54485915E+02
|
||
|
-0.53776813E+02 -0.52680252E+02 -0.51213022E+02 -0.49397831E+02 -0.47262735E+02
|
||
|
-0.44840487E+02 -0.42167800E+02 -0.39284555E+02 -0.36232972E+02 -0.33056747E+02
|
||
|
-0.29800201E+02 -0.26507431E+02 -0.23221497E+02 -0.19983660E+02 -0.16832681E+02
|
||
|
-0.13804194E+02 -0.10930172E+02 -0.82384765E+01 -0.57525253E+01 -0.34910490E+01
|
||
|
-0.14679636E+01 0.30765535E+00 0.18314968E+01 0.31038432E+01 0.41293108E+01
|
||
|
0.49165128E+01 0.54776546E+01 0.58280736E+01 0.59857369E+01 0.59707096E+01
|
||
|
0.58046075E+01 0.55100468E+01 0.51101040E+01 0.46277984E+01 0.40856065E+01
|
||
|
0.35050189E+01 0.29061483E+01 0.23073935E+01 0.17251650E+01 0.11736764E+01
|
||
|
0.66480043E+00 0.20799121E+00 -0.18972992E+00 -0.52372860E+00 -0.79165635E+00
|
||
|
-0.99330014E+00 -0.11303894E+01 -0.12063685E+01 -0.12261418E+01 -0.11958010E+01
|
||
|
-0.11223419E+01 -0.10133789E+01 -0.87686603E+00 -0.72082981E+00 -0.55312196E+00
|
||
|
-0.38119639E+00 -0.21191544E+00 -0.51388613E-01 0.95153913E-01 0.22345169E+00
|
||
|
0.33026825E+00 0.41341014E+00 0.47171249E+00 0.50499393E+00 0.51398417E+00
|
||
|
0.50022830E+00 0.46597227E+00 0.41403420E+00 0.34766651E+00 0.27041358E+00
|
||
|
0.18596975E+00 0.98042023E-01 0.10221454E-01 -0.74133186E-01 -0.15199664E+00
|
||
|
Real Space Part
|
||
|
-0.22978971E+03 -0.22971876E+03 -0.22950570E+03 -0.22915004E+03 -0.22865090E+03
|
||
|
-0.22800710E+03 -0.22721715E+03 -0.22627927E+03 -0.22519142E+03 -0.22395132E+03
|
||
|
-0.22255651E+03 -0.22100437E+03 -0.21929214E+03 -0.21741704E+03 -0.21537622E+03
|
||
|
-0.21316690E+03 -0.21078635E+03 -0.20823199E+03 -0.20550146E+03 -0.20259261E+03
|
||
|
-0.19950362E+03 -0.19623303E+03 -0.19277982E+03 -0.18914343E+03 -0.18532385E+03
|
||
|
-0.18132164E+03 -0.17713802E+03 -0.17277488E+03 -0.16823486E+03 -0.16352137E+03
|
||
|
-0.15863862E+03 -0.15359168E+03 -0.14838650E+03 -0.14302993E+03 -0.13752973E+03
|
||
|
-0.13189461E+03 -0.12613422E+03 -0.12025916E+03 -0.11428096E+03 -0.10821210E+03
|
||
|
-0.10206598E+03 -0.95856901E+02 -0.89600026E+02 -0.83311367E+02 -0.77007734E+02
|
||
|
-0.70706692E+02 -0.64426508E+02 -0.58186099E+02 -0.52004969E+02 -0.45903140E+02
|
||
|
-0.39901082E+02 -0.34019636E+02 -0.28279937E+02 -0.22703327E+02 -0.17311269E+02
|
||
|
-0.12125257E+02 -0.71667248E+01 -0.24569493E+01 0.19830430E+01 0.61325734E+01
|
||
|
0.99714085E+01 0.13479858E+02 0.16638881E+02 0.19430326E+02 0.21840754E+02
|
||
|
0.23947296E+02 0.25793037E+02 0.27382802E+02 0.28722176E+02 0.29816974E+02
|
||
|
0.30673220E+02 0.31297144E+02 0.31695201E+02 0.31874064E+02 0.31840634E+02
|
||
|
0.31602039E+02 0.31165628E+02 0.30538976E+02 0.29729872E+02 0.28746319E+02
|
||
|
0.27596519E+02 0.26288861E+02 0.24831921E+02 0.23234433E+02 0.21505294E+02
|
||
|
0.19653525E+02 0.17688266E+02 0.15618776E+02 0.13454382E+02 0.11204399E+02
|
||
|
0.88783399E+01 0.64886262E+01 0.40278047E+01 0.14805551E+01 -0.14758106E+00
|
||
|
0.12895891E-01 0.21435517E-02 -0.83125266E-03 0.12323563E-03 0.00000000E+00
|
||
|
Reciprocal Space Part
|
||
|
0.12938076E+02 0.13001141E+02 0.13188969E+02 0.13497481E+02 0.13919976E+02
|
||
|
0.14447264E+02 0.15067860E+02 0.15768218E+02 0.16533006E+02 0.17345428E+02
|
||
|
0.18187557E+02 0.19040705E+02 0.19885798E+02 0.20703761E+02 0.21475895E+02
|
||
|
0.22184251E+02 0.22811975E+02 0.23343640E+02 0.23765536E+02 0.24065925E+02
|
||
|
0.24235251E+02 0.24266311E+02 0.24154363E+02 0.23897195E+02 0.23495133E+02
|
||
|
0.22951003E+02 0.22270040E+02 0.21459752E+02 0.20529740E+02 0.19491482E+02
|
||
|
0.18358076E+02 0.17143967E+02 0.15864645E+02 0.14536334E+02 0.13175669E+02
|
||
|
0.11799383E+02 0.10423989E+02 0.90654826E+01 0.77390660E+01 0.64588896E+01
|
||
|
0.52378287E+01 0.40872924E+01 0.30170682E+01 0.20352060E+01 0.11479417E+01
|
||
|
0.35966035E+00 -0.32710038E+00 -0.91160967E+00 -0.13948672E+01 -0.17794943E+01
|
||
|
-0.20695967E+01 -0.22706025E+01 -0.23890804E+01 -0.24325430E+01 -0.24092403E+01
|
||
|
-0.23279482E+01 -0.21977574E+01 -0.20278677E+01 -0.18273906E+01 -0.16051666E+01
|
||
|
-0.13695991E+01 -0.11285078E+01 -0.88900527E+00 -0.65739711E+00 -0.43910706E+00
|
||
|
-0.23862784E+00 -0.59497043E-01 0.95702681E-01 0.22532057E+00 0.32859380E+00
|
||
|
0.40558493E+00 0.45710353E+00 0.48461490E+00 0.49013902E+00 0.47614293E+00
|
||
|
0.44542985E+00 0.40102792E+00 0.34608178E+00 0.28374951E+00 0.21710734E+00
|
||
|
0.14906432E+00 0.82288466E-01 0.19145730E-01 -0.38347430E-01 -0.88557415E-01
|
||
|
-0.13025285E+00 -0.16261030E+00 -0.18520716E+00 -0.19800276E+00 -0.20130899E+00
|
||
|
-0.19575219E+00 -0.18222782E+00 -0.16184990E+00 -0.13589710E+00 -0.10575729E+00
|
||
|
-0.72872388E-01 -0.38685202E-01 -0.45898253E-02 0.28113125E-01 0.58255292E-01
|
||
|
Real Space Part
|
||
|
0.97338618E+02 0.97310297E+02 0.97225258E+02 0.97083280E+02 0.96883999E+02
|
||
|
0.96626909E+02 0.96311375E+02 0.95936637E+02 0.95501824E+02 0.95005963E+02
|
||
|
0.94447999E+02 0.93826803E+02 0.93141195E+02 0.92389962E+02 0.91571875E+02
|
||
|
0.90685714E+02 0.89730282E+02 0.88704439E+02 0.87607114E+02 0.86437334E+02
|
||
|
0.85194247E+02 0.83877145E+02 0.82485487E+02 0.81018924E+02 0.79477319E+02
|
||
|
0.77860770E+02 0.76169633E+02 0.74404539E+02 0.72566414E+02 0.70656497E+02
|
||
|
0.68676355E+02 0.66627897E+02 0.64513388E+02 0.62335458E+02 0.60097111E+02
|
||
|
0.57801731E+02 0.55453085E+02 0.53055327E+02 0.50612996E+02 0.48131013E+02
|
||
|
0.45614675E+02 0.43069648E+02 0.40501955E+02 0.37917964E+02 0.35324375E+02
|
||
|
0.32728196E+02 0.30136730E+02 0.27557547E+02 0.24998462E+02 0.22467511E+02
|
||
|
0.19972915E+02 0.17523057E+02 0.15126448E+02 0.12791691E+02 0.10527449E+02
|
||
|
0.83424060E+01 0.62452332E+01 0.42445487E+01 0.23488801E+01 0.56662501E+00
|
||
|
-0.10939880E+01 -0.26249388E+01 -0.40184583E+01 -0.52671174E+01 -0.63651804E+01
|
||
|
-0.73392051E+01 -0.82046164E+01 -0.89634832E+01 -0.96181405E+01 -0.10171006E+02
|
||
|
-0.10624574E+02 -0.10981415E+02 -0.11244184E+02 -0.11415619E+02 -0.11498545E+02
|
||
|
-0.11495872E+02 -0.11410597E+02 -0.11245807E+02 -0.11004668E+02 -0.10690432E+02
|
||
|
-0.10306428E+02 -0.98560598E+01 -0.93428046E+01 -0.87702016E+01 -0.81418550E+01
|
||
|
-0.74614191E+01 -0.67325956E+01 -0.59591327E+01 -0.51448085E+01 -0.42933957E+01
|
||
|
-0.34087463E+01 -0.24958374E+01 -0.15519630E+01 -0.57137671E+00 0.56982207E-01
|
||
|
-0.49790792E-02 -0.82762125E-03 0.32094507E-03 -0.47581043E-04 0.00000000E+00
|
||
|
PAW radial sets
|
||
|
349 0.861424299591514
|
||
|
(5E20.12)
|
||
|
augmentation charges (non sperical)
|
||
|
0.656117730759E+00 -0.290787293166E+00 0.596378668038E+00 0.588738898181E+00 -0.176633162410E+00
|
||
|
-0.399963096349E+00 -0.290787293166E+00 0.818618592014E-01 -0.199622055274E+00 -0.198052763712E+00
|
||
|
0.228954818055E-01 0.432819606161E-01 0.596378668038E+00 -0.199622055274E+00 0.629103061485E+00
|
||
|
0.622984201922E+00 -0.102300016976E+00 -0.217567607534E+00 0.588738898181E+00 -0.198052763712E+00
|
||
|
0.622984201922E+00 0.616909395030E+00 -0.102466034791E+00 -0.218174717909E+00 -0.176633162410E+00
|
||
|
0.228954818055E-01 -0.102300016976E+00 -0.102466034791E+00 -0.108665950492E-01 -0.352271496003E-01
|
||
|
-0.399963096349E+00 0.432819606161E-01 -0.217567607534E+00 -0.218174717909E+00 -0.352271496003E-01
|
||
|
-0.106165744643E+00
|
||
|
uccopancies in atom
|
||
|
0.199999999960E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.179999999649E+01
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.100000000301E+01 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00
|
||
|
grid
|
||
|
0.451659037616E-04 0.466345862767E-04 0.481510266834E-04 0.497167779490E-04 0.513334435397E-04
|
||
|
0.530026790624E-04 0.547261939599E-04 0.565057532624E-04 0.583431793938E-04 0.602403540393E-04
|
||
|
0.621992200714E-04 0.642217835400E-04 0.663101157270E-04 0.684663552669E-04 0.706927103375E-04
|
||
|
0.729914609210E-04 0.753649611387E-04 0.778156416623E-04 0.803460122029E-04 0.829586640810E-04
|
||
|
0.856562728803E-04 0.884416011881E-04 0.913175014239E-04 0.942869187609E-04 0.973528941420E-04
|
||
|
0.100518567394E-03 0.103787180442E-03 0.107162080633E-03 0.110646724158E-03 0.114244679598E-03
|
||
|
0.117959631573E-03 0.121795384518E-03 0.125755866581E-03 0.129845133639E-03 0.134067373461E-03
|
||
|
0.138426909989E-03 0.142928207769E-03 0.147575876523E-03 0.152374675871E-03 0.157329520202E-03
|
||
|
0.162445483710E-03 0.167727805588E-03 0.173181895396E-03 0.178813338599E-03 0.184627902285E-03
|
||
|
0.190631541077E-03 0.196830403226E-03 0.203230836907E-03 0.209839396724E-03 0.216662850420E-03
|
||
|
0.223708185808E-03 0.230982617927E-03 0.238493596431E-03 0.246248813218E-03 0.254256210308E-03
|
||
|
0.262523987976E-03 0.271060613147E-03 0.279874828073E-03 0.288975659280E-03 0.298372426814E-03
|
||
|
0.308074753786E-03 0.318092576226E-03 0.328436153261E-03 0.339116077617E-03 0.350143286470E-03
|
||
|
0.361529072645E-03 0.373285096183E-03 0.385423396279E-03 0.397956403612E-03 0.410896953077E-03
|
||
|
0.424258296929E-03 0.438054118350E-03 0.452298545468E-03 0.467006165819E-03 0.482192041294E-03
|
||
|
0.497871723555E-03 0.514061269967E-03 0.530777260040E-03 0.548036812409E-03 0.565857602364E-03
|
||
|
0.584257879951E-03 0.603256488662E-03 0.622872884732E-03 0.643127157066E-03 0.664040047808E-03
|
||
|
0.685632973585E-03 0.707928047441E-03 0.730948101479E-03 0.754716710247E-03 0.779258214876E-03
|
||
|
0.804597748012E-03 0.830761259552E-03 0.857775543217E-03 0.885668263994E-03 0.914467986467E-03
|
||
|
0.944204204068E-03 0.974907369283E-03 0.100660892484E-02 0.103934133589E-02 0.107313812329E-02
|
||
|
0.110803389791E-02 0.114406439606E-02 0.118126651613E-02 0.121967835634E-02 0.125933925376E-02
|
||
|
0.130028982462E-02 0.134257200590E-02 0.138622909822E-02 0.143130581027E-02 0.147784830455E-02
|
||
|
0.152590424464E-02 0.157552284401E-02 0.162675491645E-02 0.167965292807E-02 0.173427105107E-02
|
||
|
0.179066521917E-02 0.184889318494E-02 0.190901457889E-02 0.197109097059E-02 0.203518593168E-02
|
||
|
0.210136510101E-02 0.216969625183E-02 0.224024936121E-02 0.231309668170E-02 0.238831281531E-02
|
||
|
0.246597478996E-02 0.254616213827E-02 0.262895697911E-02 0.271444410162E-02 0.280271105210E-02
|
||
|
0.289384822360E-02 0.298794894857E-02 0.308510959435E-02 0.318542966196E-02 0.328901188789E-02
|
||
|
0.339596234940E-02 0.350639057311E-02 0.362040964718E-02 0.373813633709E-02 0.385969120526E-02
|
||
|
0.398519873450E-02 0.411478745549E-02 0.424859007841E-02 0.438674362882E-02 0.452938958804E-02
|
||
|
0.467667403800E-02 0.482874781084E-02 0.498576664340E-02 0.514789133667E-02 0.531528792052E-02
|
||
|
0.548812782368E-02 0.566658804930E-02 0.585085135625E-02 0.604110644627E-02 0.623754815719E-02
|
||
|
0.644037766248E-02 0.664980267728E-02 0.686603767112E-02 0.708930408752E-02 0.731983057079E-02
|
||
|
0.755785320021E-02 0.780361573174E-02 0.805736984770E-02 0.831937541447E-02 0.858990074864E-02
|
||
|
0.886922289181E-02 0.915762789424E-02 0.945541110788E-02 0.976287748874E-02 0.100803419093E-01
|
||
|
0.104081294808E-01 0.107465758864E-01 0.110960277248E-01 0.114568428652E-01 0.118293908138E-01
|
||
|
0.122140530924E-01 0.126112236286E-01 0.130213091599E-01 0.134447296496E-01 0.138819187173E-01
|
||
|
0.143333240828E-01 0.147994080247E-01 0.152806478537E-01 0.157775364013E-01 0.162905825249E-01
|
||
|
0.168203116286E-01 0.173672662012E-01 0.179320063721E-01 0.185151104844E-01 0.191171756878E-01
|
||
|
0.197388185496E-01 0.203806756865E-01 0.210434044163E-01 0.217276834310E-01 0.224342134923E-01
|
||
|
0.231637181485E-01 0.239169444763E-01 0.246946638452E-01 0.254976727078E-01 0.263267934153E-01
|
||
|
0.271828750599E-01 0.280667943439E-01 0.289794564778E-01 0.299217961076E-01 0.308947782713E-01
|
||
|
0.318993993876E-01 0.329366882764E-01 0.340077072122E-01 0.351135530119E-01 0.362553581582E-01
|
||
|
0.374342919595E-01 0.386515617468E-01 0.399084141110E-01 0.412061361786E-01 0.425460569304E-01
|
||
|
0.439295485623E-01 0.453580278907E-01 0.468329578033E-01 0.483558487571E-01 0.499282603256E-01
|
||
|
0.515518027956E-01 0.532281388165E-01 0.549589851029E-01 0.567461141925E-01 0.585913562618E-01
|
||
|
0.604966009999E-01 0.624637995439E-01 0.644949664769E-01 0.665921818915E-01 0.687575935194E-01
|
||
|
0.709934189314E-01 0.733019478082E-01 0.756855442849E-01 0.781466493727E-01 0.806877834583E-01
|
||
|
0.833115488849E-01 0.860206326178E-01 0.888178089953E-01 0.917059425705E-01 0.946879910445E-01
|
||
|
0.977670082956E-01 0.100946147507E+00 0.104228664394E+00 0.107617920541E+00 0.111117386843E+00
|
||
|
0.114730647059E+00 0.118461401484E+00 0.122313470735E+00 0.126290799668E+00 0.130397461417E+00
|
||
|
0.134637661560E+00 0.139015742434E+00 0.143536187576E+00 0.148203626317E+00 0.153022838522E+00
|
||
|
0.157998759486E+00 0.163136484985E+00 0.168441276501E+00 0.173918566604E+00 0.179573964516E+00
|
||
|
0.185413261859E+00 0.191442438586E+00 0.197667669098E+00 0.204095328577E+00 0.210731999506E+00
|
||
|
0.217584478418E+00 0.224659782849E+00 0.231965158530E+00 0.239508086803E+00 0.247296292286E+00
|
||
|
0.255337750783E+00 0.263640697448E+00 0.272213635226E+00 0.281065343554E+00 0.290204887354E+00
|
||
|
0.299641626318E+00 0.309385224492E+00 0.319445660170E+00 0.329833236120E+00 0.340558590125E+00
|
||
|
0.351632705886E+00 0.363066924265E+00 0.374872954901E+00 0.387062888201E+00 0.399649207721E+00
|
||
|
0.412644802954E+00 0.426062982523E+00 0.439917487817E+00 0.454222507061E+00 0.468992689844E+00
|
||
|
0.484243162124E+00 0.499989541718E+00 0.516247954293E+00 0.533035049885E+00 0.550368019948E+00
|
||
|
0.568264614956E+00 0.586743162588E+00 0.605822586490E+00 0.625522425660E+00 0.645862854455E+00
|
||
|
0.666864703251E+00 0.688549479777E+00 0.710939391139E+00 0.734057366561E+00 0.757927080873E+00
|
||
|
0.782572978746E+00 0.808020299734E+00 0.834295104117E+00 0.861424299592E+00 0.889435668823E+00
|
||
|
0.918357897903E+00 0.948220605720E+00 0.979054374297E+00 0.101089078011E+01 0.104376242641E+01
|
||
|
0.107770297665E+01 0.111274718891E+01 0.114893095153E+01 0.118629131984E+01 0.122486655413E+01
|
||
|
0.126469615880E+01 0.130582092285E+01 0.134828296164E+01 0.139212576000E+01 0.143739421678E+01
|
||
|
0.148413469085E+01 0.153239504854E+01 0.158222471266E+01 0.163367471314E+01 0.168679773930E+01
|
||
|
0.174164819373E+01 0.179828224811E+01 0.185675790065E+01 0.191713503554E+01 0.197947548423E+01
|
||
|
0.204384308879E+01 0.211030376727E+01 0.217892558122E+01 0.224977880536E+01 0.232293599960E+01
|
||
|
0.239847208329E+01 0.247646441199E+01 0.255699285664E+01 0.264013988542E+01 0.272599064815E+01
|
||
|
0.281463306352E+01 0.290615790909E+01 0.300065891432E+01 0.309823285648E+01
|
||
|
aepotential
|
||
|
0.133417948985E+05 0.134852771002E+05 0.136071856986E+05 0.137065455752E+05 0.137825868972E+05
|
||
|
0.138346745895E+05 0.138623376346E+05 0.138653052209E+05 0.138434668508E+05 0.137969141531E+05
|
||
|
0.137259106513E+05 0.136309208120E+05 0.135125691853E+05 0.133716622127E+05 0.132091591903E+05
|
||
|
0.130261674845E+05 0.128239173168E+05 0.126037634353E+05 0.123671401127E+05 0.121155692160E+05
|
||
|
0.118506188857E+05 0.115738972266E+05 0.112870256691E+05 0.109916250734E+05 0.106892942198E+05
|
||
|
0.103815961068E+05 0.100700426960E+05 0.975608178881E+04 0.944108579164E+04 0.912634423513E+04
|
||
|
0.881305379146E+04 0.850231641755E+04 0.819513368960E+04 0.789240586825E+04 0.759493188768E+04
|
||
|
0.730341084487E+04 0.701844427839E+04 0.674053998939E+04 0.647011645084E+04 0.620750807389E+04
|
||
|
0.595297090953E+04 0.570668859285E+04 0.546877868412E+04 0.523929894542E+04 0.501825362688E+04
|
||
|
0.480559960129E+04 0.460125228174E+04 0.440509125670E+04 0.421696559765E+04 0.403669880337E+04
|
||
|
0.386409334853E+04 0.369893486224E+04 0.354099588516E+04 0.339003923239E+04 0.324582102736E+04
|
||
|
0.310809329225E+04 0.297660626423E+04 0.285111041655E+04 0.273135803280E+04 0.261710478014E+04
|
||
|
0.250811072826E+04 0.240414144901E+04 0.230496866496E+04 0.221037092523E+04 0.212013401688E+04
|
||
|
0.203405129002E+04 0.195192385071E+04 0.187356069804E+04 0.179877869078E+04 0.172740259001E+04
|
||
|
0.165926486355E+04 0.159420569114E+04 0.153207265711E+04 0.147272051798E+04 0.141601114079E+04
|
||
|
0.136181314289E+04 0.131000163840E+04 0.126045797094E+04 0.121306955364E+04 0.116772948089E+04
|
||
|
0.112433632396E+04 0.108279384763E+04 0.104301081143E+04 0.100490065692E+04 0.968381335892E+03
|
||
|
0.933374982657E+03 0.899807853096E+03 0.867609900226E+03 0.836714794322E+03 0.807059542243E+03
|
||
|
0.778584419777E+03 0.751232758949E+03 0.724950762177E+03 0.699687379760E+03 0.675394119493E+03
|
||
|
0.652024949967E+03 0.629536127213E+03 0.607886089282E+03 0.587035323374E+03 0.566946256519E+03
|
||
|
0.547583160597E+03 0.528912022910E+03 0.510900479836E+03 0.493517705944E+03 0.476734345027E+03
|
||
|
0.460522400925E+03 0.444855214665E+03 0.429707334653E+03 0.415054476384E+03 0.400873472397E+03
|
||
|
0.387142178003E+03 0.373839453945E+03 0.360945082885E+03 0.348439715390E+03 0.336304865982E+03
|
||
|
0.324522816591E+03 0.313076604250E+03 0.301949970435E+03 0.291127328028E+03 0.280593724201E+03
|
||
|
0.270334806777E+03 0.260336792436E+03 0.250586437073E+03 0.241071008253E+03 0.231778255838E+03
|
||
|
0.222696394267E+03 0.213814067982E+03 0.205120339205E+03 0.196604661607E+03 0.188256859866E+03
|
||
|
0.180067116334E+03 0.172025946486E+03 0.164124189144E+03 0.156352985062E+03 0.148703766421E+03
|
||
|
0.141168241716E+03 0.133738382876E+03 0.126406412789E+03 0.119164796667E+03 0.112006227169E+03
|
||
|
0.104923619552E+03 0.979100992709E+02 0.909589951267E+02 0.840638320051E+02 0.772183224328E+02
|
||
|
0.704163621264E+02 0.636520230202E+02 0.569195485812E+02 0.502133493911E+02 0.435279992361E+02
|
||
|
0.368582320126E+02 0.301989380738E+02 0.235451637284E+02 0.168921081429E+02 0.102351230546E+02
|
||
|
0.356971271585E+01 -0.310846700709E+01 -0.980360623088E+01 -0.165197416191E+02 -0.232607527556E+02
|
||
|
-0.300303599593E+02 -0.368321210492E+02 -0.436694277607E+02 -0.505455003321E+02 -0.574633822267E+02
|
||
|
-0.644259340901E+02 -0.714358263926E+02 -0.784955320544E+02 -0.856073165378E+02 -0.927732288081E+02
|
||
|
-0.999950900689E+02 -0.107274481016E+03 -0.114612729457E+03 -0.122010894137E+03 -0.129469749286E+03
|
||
|
-0.136989765896E+03 -0.144571092180E+03 -0.152213531257E+03 -0.159916517464E+03 -0.167679089570E+03
|
||
|
-0.175499862143E+03 -0.183376993999E+03 -0.191308154042E+03 -0.199290484564E+03 -0.207320561856E+03
|
||
|
-0.215394354833E+03 -0.223507181675E+03 -0.231653666025E+03 -0.239827693324E+03 -0.248022369784E+03
|
||
|
-0.256229985940E+03 -0.264441988442E+03 -0.272648964410E+03 -0.280840643274E+03 -0.289005922829E+03
|
||
|
-0.297132926470E+03 -0.305209099587E+03 -0.313221352308E+03 -0.321156254975E+03 -0.329000288561E+03
|
||
|
-0.336740146379E+03 -0.344363072598E+03 -0.351857207757E+03 -0.359211890151E+03 -0.366417834376E+03
|
||
|
-0.373467078711E+03 -0.380352565116E+03 -0.387067204687E+03 -0.393602305126E+03 -0.399945324131E+03
|
||
|
-0.406077087460E+03 -0.411968868962E+03 -0.417580087540E+03 -0.422857580768E+03 -0.427737508927E+03
|
||
|
-0.432150544648E+03 -0.436030181708E+03 -0.439322953443E+03 -0.441998490666E+03 -0.444057119180E+03
|
||
|
-0.445533203152E+03 -0.446493383214E+03 -0.447029856353E+03 -0.447249772590E+03 -0.447262781168E+03
|
||
|
-0.447169511867E+03 -0.447053659663E+03 -0.446978991661E+03 -0.446990676139E+03 -0.447119012040E+03
|
||
|
-0.447383559447E+03 -0.447796452635E+03 -0.448364600985E+03 -0.449091026815E+03 -0.449975720944E+03
|
||
|
-0.451016288572E+03 -0.452208506167E+03 -0.453546799914E+03 -0.455024623168E+03 -0.456634706630E+03
|
||
|
-0.458369173526E+03 -0.460219529264E+03 -0.462176541147E+03 -0.464230029067E+03 -0.466368588663E+03
|
||
|
-0.468579269073E+03 -0.470847235469E+03 -0.473155456198E+03 -0.475484473810E+03 -0.477812344470E+03
|
||
|
-0.480114853366E+03 -0.482366129531E+03 -0.484539762952E+03 -0.486610440278E+03 -0.488555912535E+03
|
||
|
-0.490358733402E+03 -0.492006648915E+03 -0.493489884862E+03 -0.494793350700E+03 -0.495882869841E+03
|
||
|
-0.496688381113E+03 -0.497093275852E+03 -0.496943639328E+03 -0.496088448908E+03 -0.494445074521E+03
|
||
|
-0.492060025118E+03 -0.489114546422E+03 -0.485846542312E+03 -0.482438172789E+03 -0.478960796979E+03
|
||
|
-0.475401038885E+03 -0.471715054451E+03 -0.467864495064E+03 -0.463827602224E+03 -0.459596723604E+03
|
||
|
-0.455172061357E+03 -0.450556346994E+03 -0.445751842171E+03 -0.440759451713E+03 -0.435579142259E+03
|
||
|
-0.430210872258E+03 -0.424655508480E+03 -0.418915484382E+03 -0.412995162196E+03 -0.406900939198E+03
|
||
|
-0.400641172771E+03 -0.394225993968E+03 -0.387667052053E+03 -0.380977231025E+03 -0.374170357005E+03
|
||
|
-0.367260910789E+03 -0.360263758110E+03 -0.353193901894E+03 -0.346066262285E+03 -0.338895489212E+03
|
||
|
-0.331695811635E+03 -0.324480918477E+03 -0.317263881701E+03 -0.310057100037E+03 -0.302872289220E+03
|
||
|
-0.295720474087E+03 -0.288612006633E+03 -0.281556582921E+03 -0.274563258250E+03 -0.267640453771E+03
|
||
|
-0.260795953619E+03 -0.254036894946E+03 -0.247369757398E+03 -0.240800359851E+03 -0.234333872633E+03
|
||
|
-0.227974848946E+03 -0.221727275579E+03 -0.215594635508E+03 -0.209579971909E+03 -0.203685941352E+03
|
||
|
-0.197914846996E+03 -0.192268648085E+03 -0.186748950624E+03 -0.181356985848E+03 -0.176093588356E+03
|
||
|
-0.170959183830E+03 -0.165953787877E+03 -0.161077019433E+03 -0.156328127024E+03 -0.151706015159E+03
|
||
|
-0.147209276852E+03 -0.142836216559E+03 -0.138584869502E+03 -0.134453012590E+03 -0.130438172196E+03
|
||
|
-0.126537632443E+03 -0.122748451063E+03 -0.119067488741E+03 -0.115491457282E+03 -0.112016983163E+03
|
||
|
-0.108640694911E+03 -0.105359312026E+03 -0.102169733702E+03 -0.990691190093E+02 -0.960549444021E+02
|
||
|
-0.931250354353E+02 -0.902775696201E+02 -0.875110507809E+02 -0.848242574403E+02 -0.822161693630E+02
|
||
|
-0.796858777872E+02 -0.772324864916E+02 -0.748550125994E+02 -0.725522974763E+02
|
||
|
core charge-density
|
||
|
0.948607666885E-03 0.100977866935E-02 0.107488877881E-02 0.114419110185E-02 0.121795495402E-02
|
||
|
0.129646689259E-02 0.138003181450E-02 0.146897412376E-02 0.156363897246E-02 0.166439358004E-02
|
||
|
0.177162863581E-02 0.188575978957E-02 0.200722923622E-02 0.213650739976E-02 0.227409472317E-02
|
||
|
0.242052357046E-02 0.257636024793E-02 0.274220715196E-02 0.291870505108E-02 0.310653551052E-02
|
||
|
0.330642346804E-02 0.351913997020E-02 0.374550507890E-02 0.398639095851E-02 0.424272515455E-02
|
||
|
0.451549407557E-02 0.480574669044E-02 0.511459845402E-02 0.544323547503E-02 0.579291894052E-02
|
||
|
0.616498981240E-02 0.656087381209E-02 0.698208671061E-02 0.743023994201E-02 0.790704655941E-02
|
||
|
0.841432755369E-02 0.895401855614E-02 0.952817694755E-02 0.101389893974E-01 0.107887798578E-01
|
||
|
0.114800180394E-01 0.122153283953E-01 0.129974996436E-01 0.138294948592E-01 0.147144621653E-01
|
||
|
0.156557460611E-01 0.166568994191E-01 0.177216961908E-01 0.188541448595E-01 0.200585026809E-01
|
||
|
0.213392907562E-01 0.227013099807E-01 0.241496579174E-01 0.256897466434E-01 0.273273216216E-01
|
||
|
0.290684816520E-01 0.309196999585E-01 0.328878464693E-01 0.349802113538E-01 0.372045298780E-01
|
||
|
0.395690086451E-01 0.420823532904E-01 0.447537977000E-01 0.475931348296E-01 0.506107491960E-01
|
||
|
0.538176511227E-01 0.572255128186E-01 0.608467063736E-01 0.646943437552E-01 0.687823188950E-01
|
||
|
0.731253519520E-01 0.777390358445E-01 0.826398851416E-01 0.878453874078E-01 0.933740570934E-01
|
||
|
0.992454920651E-01 0.105480432870E+00 0.112100824826E+00 0.119129883028E+00 0.126592160363E+00
|
||
|
0.134513618619E+00 0.142921702766E+00 0.151845418496E+00 0.161315413083E+00 0.171364059639E+00
|
||
|
0.182025544817E+00 0.193335960003E+00 0.205333396045E+00 0.218058041523E+00 0.231552284585E+00
|
||
|
0.245860818317E+00 0.261030749633E+00 0.277111711613E+00 0.294155979227E+00 0.312218588309E+00
|
||
|
0.331357457665E+00 0.351633514116E+00 0.373110820263E+00 0.395856704715E+00 0.419941894448E+00
|
||
|
0.445440648954E+00 0.472430895718E+00 0.500994366552E+00 0.531216734217E+00 0.563187748664E+00
|
||
|
0.597001372199E+00 0.632755912714E+00 0.670554154072E+00 0.710503482624E+00 0.752716008676E+00
|
||
|
0.797308681661E+00 0.844403397579E+00 0.894127097159E+00 0.946611853027E+00 0.100199494401E+01
|
||
|
0.106041891454E+01 0.112203161685E+01 0.118698623369E+01 0.125544127880E+01 0.132756057234E+01
|
||
|
0.140351318829E+01 0.148347337045E+01 0.156762041363E+01 0.165613850618E+01 0.174921653001E+01
|
||
|
0.184704781377E+01 0.194982983478E+01 0.205776386513E+01 0.217105455679E+01 0.228990946095E+01
|
||
|
0.241453847599E+01 0.254515321876E+01 0.268196631356E+01 0.282519059292E+01 0.297503820462E+01
|
||
|
0.313171961894E+01 0.329544253042E+01 0.346641064852E+01 0.364482237158E+01 0.383086933897E+01
|
||
|
0.402473485658E+01 0.422659219123E+01 0.443660273045E+01 0.465491400457E+01 0.488165756912E+01
|
||
|
0.511694674669E+01 0.536087422863E+01 0.561350953842E+01 0.587489636041E+01 0.614504973944E+01
|
||
|
0.642395315921E+01 0.671155550965E+01 0.700776795629E+01 0.731246072771E+01 0.762545984057E+01
|
||
|
0.794654378508E+01 0.827544019791E+01 0.861182255360E+01 0.895530690994E+01 0.930544874755E+01
|
||
|
0.966173994855E+01 0.100236059644E+02 0.103904032277E+02 0.107614168690E+02 0.111358588023E+02
|
||
|
0.115128662508E+02 0.118915007872E+02 0.122707479662E+02 0.126495176339E+02 0.130266449975E+02
|
||
|
0.134008925439E+02 0.137709528944E+02 0.141354526851E+02 0.144929575564E+02 0.148419783358E+02
|
||
|
0.151809784892E+02 0.155083829090E+02 0.158225880967E+02 0.161219737848E+02 0.164049160251E+02
|
||
|
0.166698017529E+02 0.169150448133E+02 0.171391034098E+02 0.173404989051E+02 0.175178358753E+02
|
||
|
0.176698232776E+02 0.177952965578E+02 0.178932404807E+02 0.179628124238E+02 0.180033658319E+02
|
||
|
0.180144734833E+02 0.179959501774E+02 0.179478744075E+02 0.178706085462E+02 0.177648170351E+02
|
||
|
0.176314820395E+02 0.174719160103E+02 0.172877705818E+02 0.170810412336E+02 0.168540671568E+02
|
||
|
0.166095257921E+02 0.163504215500E+02 0.160800682818E+02 0.158020651513E+02 0.155202656497E+02
|
||
|
0.152387396140E+02 0.149617282380E+02 0.146935922153E+02 0.144387533118E+02 0.142016298372E+02
|
||
|
0.139865666630E+02 0.137977606111E+02 0.136391822305E+02 0.135144951464E+02 0.134269743230E+02
|
||
|
0.133794248056E+02 0.133741026138E+02 0.134126396274E+02 0.134959744233E+02 0.136242910960E+02
|
||
|
0.137969681268E+02 0.140125393230E+02 0.142686687450E+02 0.145621413460E+02 0.148888707734E+02
|
||
|
0.152439254254E+02 0.156215734478E+02 0.160153469342E+02 0.164181251646E+02 0.168222363028E+02
|
||
|
0.172195765145E+02 0.176017449885E+02 0.179601928219E+02 0.182863832054E+02 0.185719598514E+02
|
||
|
0.188089201579E+02 0.189897892311E+02 0.191077906049E+02 0.191570093027E+02 0.191325428093E+02
|
||
|
0.190306355496E+02 0.188487926340E+02 0.185858689142E+02 0.182421298227E+02 0.178192810259E+02
|
||
|
0.173204646187E+02 0.167502204068E+02 0.161144117614E+02 0.154201165689E+02 0.146754849077E+02
|
||
|
0.138895662482E+02 0.130721101398E+02 0.122333454804E+02 0.113837444888E+02 0.105337783525E+02
|
||
|
0.969367210385E+01 0.887316650002E+01 0.808129446521E+01 0.732617894909E+01 0.661485809633E+01
|
||
|
0.595314215206E+01 0.534550589677E+01 0.479502043489E+01 0.430332745878E+01 0.387066074032E+01
|
||
|
0.349591680564E+01 0.317677298657E+01 0.290984454064E+01 0.269086702575E+01 0.251488997685E+01
|
||
|
0.237647320022E+01 0.226988195698E+01 0.218927808240E+01 0.212890238357E+01 0.208324239589E+01
|
||
|
0.204717965393E+01 0.201611165005E+01 0.198604510092E+01 0.195365874286E+01 0.191633547913E+01
|
||
|
0.187216519181E+01 0.181992082738E+01 0.175901140181E+01 0.168941630098E+01 0.161160568215E+01
|
||
|
0.152645190213E+01 0.143513674717E+01 0.133905886582E+01 0.123974524273E+01 0.113876987792E+01
|
||
|
0.103768208919E+01 0.937946081306E+00 0.840892745781E+00 0.747683922844E+00 0.659288713004E+00
|
||
|
0.576471165823E+00 0.499788067584E+00 0.429595398581E+00 0.366061851802E+00 0.309187742158E+00
|
||
|
0.258827657397E+00 0.214715294706E+00 0.176489075054E+00 0.143717318214E+00 0.115921978962E+00
|
||
|
0.926001758276E-01 0.732429748900E-01 0.573511109317E-01 0.444475272298E-01 0.340867861690E-01
|
||
|
0.258615410840E-01 0.194063632640E-01 0.143992872760E-01 0.105614750393E-01 0.765540826479E-02
|
||
|
0.548200472046E-02 0.387702157580E-02 0.270706410411E-02 0.186546543508E-02 0.126824744776E-02
|
||
|
0.850318266502E-03 0.562011288308E-03 0.366026455544E-03 0.234797895613E-03 0.148283552128E-03
|
||
|
0.921518144062E-04 0.563266888096E-04 0.338456938844E-04 0.199821882594E-04 0.115850183587E-04
|
||
|
0.659204491501E-05 0.367926517471E-05 0.201307198064E-05 0.107906240108E-05 0.566299895712E-06
|
||
|
0.290786578917E-06 0.145994616859E-06 0.716195411199E-07 0.343041322614E-07 0.160309522520E-07
|
||
|
0.730359980425E-08 0.324141313156E-08 0.140021256548E-08 0.588226624447E-09 0.240105031470E-09
|
||
|
0.951400957316E-10 0.365608315391E-10 0.136121668984E-10 0.490512006454E-11
|
||
|
kinetic energy-density
|
||
|
0.973755702715E+03 0.978966278631E+03 0.984396123675E+03 0.990052446982E+03 0.995942957514E+03
|
||
|
0.100207543655E+04 0.100845826595E+04 0.101510002510E+04 0.102200975581E+04 0.102919686207E+04
|
||
|
0.103667127020E+04 0.104444328332E+04 0.105252376440E+04 0.106092407201E+04 0.106965616623E+04
|
||
|
0.107873250467E+04 0.108816630973E+04 0.109797132333E+04 0.110816207921E+04 0.111875380317E+04
|
||
|
0.112976248954E+04 0.114120494243E+04 0.115309883127E+04 0.116546268643E+04 0.117831599260E+04
|
||
|
0.119167918869E+04 0.120557376043E+04 0.122002223355E+04 0.123504828394E+04 0.125067673331E+04
|
||
|
0.126693363975E+04 0.128384637307E+04 0.130144361655E+04 0.131975547874E+04 0.133881356291E+04
|
||
|
0.135865102075E+04 0.137930264271E+04 0.140080492921E+04 0.142319619315E+04 0.144651664829E+04
|
||
|
0.147080850043E+04 0.149611606005E+04 0.152248584963E+04 0.154996672213E+04 0.157860998582E+04
|
||
|
0.160846953519E+04 0.163960199095E+04 0.167206684727E+04 0.170592662696E+04 0.174124704910E+04
|
||
|
0.177809719806E+04 0.181654971230E+04 0.185668097589E+04 0.189857132180E+04 0.194230525321E+04
|
||
|
0.198797166724E+04 0.203566409068E+04 0.208548094883E+04 0.213752581141E+04 0.219190769238E+04
|
||
|
0.224874133284E+04 0.230814752206E+04 0.237025342196E+04 0.243519291016E+04 0.250310694749E+04
|
||
|
0.257414395970E+04 0.264846022947E+04 0.272622035747E+04 0.280759761678E+04 0.289277457609E+04
|
||
|
0.298194336810E+04 0.307530643293E+04 0.317307689506E+04 0.327547920591E+04 0.338274969682E+04
|
||
|
0.349513722559E+04 0.361290382911E+04 0.373632535020E+04 0.386569222363E+04 0.400131015334E+04
|
||
|
0.414350093975E+04 0.429260322026E+04 0.444897340124E+04 0.461298642946E+04 0.478503681172E+04
|
||
|
0.496553947248E+04 0.515493080334E+04 0.535366965262E+04 0.556223839378E+04 0.578114402553E+04
|
||
|
0.601091929655E+04 0.625212389049E+04 0.650534561144E+04 0.677120165861E+04 0.705033985682E+04
|
||
|
0.734344000334E+04 0.765121517912E+04 0.797441313198E+04 0.831381765809E+04 0.867025000422E+04
|
||
|
0.904457031793E+04 0.943767906507E+04 0.985051850276E+04 0.102840740981E+05 0.107393760115E+05
|
||
|
0.112175004951E+05 0.117195712744E+05 0.122467610454E+05 0.128002926243E+05 0.133814403809E+05
|
||
|
0.139915313381E+05 0.146319463435E+05 0.153041211062E+05 0.160095470081E+05 0.167497719282E+05
|
||
|
0.175264008518E+05 0.183410961954E+05 0.191955780993E+05 0.200916242886E+05 0.210310698061E+05
|
||
|
0.220158063740E+05 0.230477814321E+05 0.241289967821E+05 0.252615068434E+05 0.264474163944E+05
|
||
|
0.276888778979E+05 0.289880881508E+05 0.303472844265E+05 0.317687399249E+05 0.332547584641E+05
|
||
|
0.348076684759E+05 0.364298160921E+05 0.381235574006E+05 0.398912496757E+05 0.417352416455E+05
|
||
|
0.436578626160E+05 0.456614104988E+05 0.477481385470E+05 0.499202408960E+05 0.521798366857E+05
|
||
|
0.545289528257E+05 0.569695053087E+05 0.595032790006E+05 0.621319059279E+05 0.648568419666E+05
|
||
|
0.676793419576E+05 0.706004332324E+05 0.736208875396E+05 0.767411914173E+05 0.799615150078E+05
|
||
|
0.832816795283E+05 0.867011231881E+05 0.902188660200E+05 0.938334735806E+05 0.975430195818E+05
|
||
|
0.101345048032E+06 0.105236534721E+06 0.109213848638E+06 0.113272713584E+06 0.117408170138E+06
|
||
|
0.121614538935E+06 0.125885385038E+06 0.130213484594E+06 0.134590793802E+06 0.139008421276E+06
|
||
|
0.143456604086E+06 0.147924688584E+06 0.152401116303E+06 0.156873416276E+06 0.161328204098E+06
|
||
|
0.165751188921E+06 0.170127189088E+06 0.174440157275E+06 0.178673216018E+06 0.182808704462E+06
|
||
|
0.186828236990E+06 0.190712774582E+06 0.194442709360E+06 0.197997962974E+06 0.201358098996E+06
|
||
|
0.204502449774E+06 0.207410257467E+06 0.210060829303E+06 0.212433706474E+06 0.214508845961E+06
|
||
|
0.216266814357E+06 0.217688992278E+06 0.218757787763E+06 0.219456856674E+06 0.219771327704E+06
|
||
|
0.219688029360E+06 0.219195715836E+06 0.218285288441E+06 0.216950008865E+06 0.215185700421E+06
|
||
|
0.212990933078E+06 0.210367187979E+06 0.207318997119E+06 0.203854053820E+06 0.199983289796E+06
|
||
|
0.195720914838E+06 0.191084415534E+06 0.186094510001E+06 0.180775056183E+06 0.175152912182E+06
|
||
|
0.169257747965E+06 0.163121808816E+06 0.156779632018E+06 0.150267719230E+06 0.143624168049E+06
|
||
|
0.136888266909E+06 0.130100059245E+06 0.123299875100E+06 0.116527853207E+06 0.109823436302E+06
|
||
|
0.103224864999E+06 0.967686726139E+05 0.904891940164E+05 0.844181022788E+05 0.785839875313E+05
|
||
|
0.730119912532E+05 0.677235064133E+05 0.627359501977E+05 0.580626124100E+05 0.537125796012E+05
|
||
|
0.496907328742E+05 0.459978161004E+05 0.426305708729E+05 0.395819345492E+05 0.368412975237E+05
|
||
|
0.343948153983E+05 0.322257704854E+05 0.303149758698E+05 0.286412137505E+05 0.271816987387E+05
|
||
|
0.259125559618E+05 0.248093033551E+05 0.238473276530E+05 0.230023437985E+05 0.222508283550E+05
|
||
|
0.215704183003E+05 0.209402678895E+05 0.203413573660E+05 0.197567488428E+05 0.191717857908E+05
|
||
|
0.185742341284E+05 0.179543639483E+05 0.173049722246E+05 0.166213478109E+05 0.159011810733E+05
|
||
|
0.151444214148E+05 0.143530867618E+05 0.135310302530E+05 0.126836703750E+05 0.118176922886E+05
|
||
|
0.109407298941E+05 0.100610399778E+05 0.918718157221E+04 0.832771452444E+04 0.749092697465E+04
|
||
|
0.668460207908E+04 0.591581311735E+04 0.519074032574E+04 0.451449759124E+04 0.389096879785E+04
|
||
|
0.332268765245E+04 0.281080233791E+04 0.235515552704E+04 0.195446048843E+04 0.160650867219E+04
|
||
|
0.130835403853E+04 0.105646620347E+04 0.846870914356E+03 0.675291194752E+03 0.537289485206E+03
|
||
|
0.428404504473E+03 0.344275950275E+03 0.280751897044E+03 0.233975770524E+03 0.200451468545E+03
|
||
|
0.177086535430E+03 0.161214400214E+03 0.150597587071E+03 0.143414513072E+03 0.138232979855E+03
|
||
|
0.133973690679E+03 0.129867130142E+03 0.125406947184E+03 0.120302586359E+03 0.114433496026E+03
|
||
|
0.107806641184E+03 0.100518649248E+03 0.927230559787E+02 0.846036209961E+02 0.763527959666E+02
|
||
|
0.681557053539E+02 0.601788436146E+02 0.525629138995E+02 0.454191168780E+02 0.388281988728E+02
|
||
|
0.328415908117E+02 0.274840358519E+02 0.227571723151E+02 0.186436237496E+02 0.151112330003E+02
|
||
|
0.121171605426E+02 0.961164500276E+01 0.754129347997E+01 0.585182928650E+01 0.449027423413E+01
|
||
|
0.340658120473E+01 0.255476090374E+01 0.189356511448E+01 0.138679879669E+01 0.100333644189E+01
|
||
|
0.716915842028E+00 0.505776335953E+00 0.352200075049E+00 0.242004991026E+00 0.164027935079E+00
|
||
|
0.109626580860E+00 0.722196918235E-01 0.468776075202E-01 0.299684852559E-01 0.188609834301E-01
|
||
|
0.116806180110E-01 0.711479024656E-02 0.426026951372E-02 0.250648832664E-02 0.144815129745E-02
|
||
|
0.821181086178E-03 0.456760986816E-03 0.249059887997E-03 0.133049867745E-03 0.695895069326E-04
|
||
|
0.356128077798E-04 0.178200116195E-04 0.871257897765E-05 0.415921399166E-05 0.193722926373E-05
|
||
|
0.879681213516E-06 0.389136986030E-06 0.167555626093E-06 0.701662490675E-07 0.285515474724E-07
|
||
|
0.112789214289E-07 0.432146009222E-08 0.160431758285E-08 0.576503400214E-09
|
||
|
mkinetic energy-density pseudized
|
||
|
0.227034072700E-05 0.242039299000E-05 0.258036256678E-05 0.275090491636E-05 0.293271881862E-05
|
||
|
0.312654923749E-05 0.333319037331E-05 0.355348891705E-05 0.378834751951E-05 0.403872848982E-05
|
||
|
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||
|
-0.344452194931E+03 -0.334289216743E+03 -0.324177297899E+03 -0.314288411787E+03 -0.304663226788E+03
|
||
|
-0.295403944160E+03 -0.286451528170E+03 -0.277239696959E+03 -0.267222341625E+03 -0.258746538344E+03
|
||
|
-0.250647208678E+03 -0.242822768197E+03 -0.235246582778E+03 -0.227895358618E+03 -0.220744513769E+03
|
||
|
-0.213786561002E+03 -0.207053253206E+03 -0.200532019072E+03 -0.194216300069E+03 -0.188099581107E+03
|
||
|
-0.182175564262E+03 -0.176438158040E+03 -0.170881471659E+03 -0.165499802650E+03 -0.160287632860E+03
|
||
|
-0.155239619461E+03 -0.150350589832E+03 -0.145615535177E+03 -0.141029605139E+03 -0.136588102595E+03
|
||
|
-0.132286478547E+03 -0.128120327590E+03 -0.124085383030E+03 -0.120177512394E+03 -0.116392713900E+03
|
||
|
-0.112727111849E+03 -0.109176951965E+03 -0.105738598663E+03 -0.102408530735E+03 -0.991833378852E+02
|
||
|
-0.960597171942E+02 -0.930344698121E+02 -0.901044975696E+02 -0.872667999569E+02 -0.845184709192E+02
|
||
|
-0.818566959527E+02 -0.792787491998E+02 -0.767819906635E+02 -0.743638634855E+02
|
||
|
pspotential valence only
|
||
|
-0.512087057116E+03 -0.512088848657E+03 -0.512090583764E+03 -0.512092264214E+03 -0.512093891728E+03
|
||
|
-0.512095467972E+03 -0.512096994559E+03 -0.512098473053E+03 -0.512099904967E+03 -0.512101291768E+03
|
||
|
-0.512102634873E+03 -0.512103935660E+03 -0.512105195458E+03 -0.512106415556E+03 -0.512107597205E+03
|
||
|
-0.512108741613E+03 -0.512109849952E+03 -0.512110923354E+03 -0.512111962918E+03 -0.512112969709E+03
|
||
|
-0.512113944756E+03 -0.512114889057E+03 -0.512115803576E+03 -0.512116689250E+03 -0.512117546983E+03
|
||
|
-0.512118377652E+03 -0.512119182107E+03 -0.512119961170E+03 -0.512120715635E+03 -0.512121446275E+03
|
||
|
-0.512122153834E+03 -0.512122839036E+03 -0.512123502579E+03 -0.512124145141E+03 -0.512124767376E+03
|
||
|
-0.512125369918E+03 -0.512125953382E+03 -0.512126518362E+03 -0.512127065433E+03 -0.512127595150E+03
|
||
|
-0.512128108052E+03 -0.512128604661E+03 -0.512129085479E+03 -0.512129550994E+03 -0.512130001679E+03
|
||
|
-0.512130437987E+03 -0.512130860361E+03 -0.512131269225E+03 -0.512131664992E+03 -0.512132048061E+03
|
||
|
-0.512132418814E+03 -0.512132777624E+03 -0.512133124849E+03 -0.512133460834E+03 -0.512133785915E+03
|
||
|
-0.512134100412E+03 -0.512134404637E+03 -0.512134698888E+03 -0.512134983454E+03 -0.512135258612E+03
|
||
|
-0.512135524628E+03 -0.512135781761E+03 -0.512136030254E+03 -0.512136270346E+03 -0.512136502262E+03
|
||
|
-0.512136726220E+03 -0.512136942426E+03 -0.512137151080E+03 -0.512137352368E+03 -0.512137546471E+03
|
||
|
-0.512137733560E+03 -0.512137913796E+03 -0.512138087330E+03 -0.512138254307E+03 -0.512138414860E+03
|
||
|
-0.512138569115E+03 -0.512138717188E+03 -0.512138859187E+03 -0.512138995209E+03 -0.512139125343E+03
|
||
|
-0.512139249668E+03 -0.512139368255E+03 -0.512139481164E+03 -0.512139588445E+03 -0.512139690138E+03
|
||
|
-0.512139786274E+03 -0.512139876871E+03 -0.512139961939E+03 -0.512140041474E+03 -0.512140115462E+03
|
||
|
-0.512140183877E+03 -0.512140246680E+03 -0.512140303819E+03 -0.512140355229E+03 -0.512140400830E+03
|
||
|
-0.512140440530E+03 -0.512140474217E+03 -0.512140501768E+03 -0.512140523039E+03 -0.512140537872E+03
|
||
|
-0.512140546086E+03 -0.512140547486E+03 -0.512140541850E+03 -0.512140528940E+03 -0.512140508492E+03
|
||
|
-0.512140480217E+03 -0.512140443803E+03 -0.512140398910E+03 -0.512140345167E+03 -0.512140282176E+03
|
||
|
-0.512140209505E+03 -0.512140126687E+03 -0.512140033220E+03 -0.512139928564E+03 -0.512139812137E+03
|
||
|
-0.512139683313E+03 -0.512139541422E+03 -0.512139385743E+03 -0.512139215503E+03 -0.512139029876E+03
|
||
|
-0.512138827974E+03 -0.512138608848E+03 -0.512138371481E+03 -0.512138114788E+03 -0.512137837603E+03
|
||
|
-0.512137538686E+03 -0.512137216706E+03 -0.512136870244E+03 -0.512136497783E+03 -0.512136097701E+03
|
||
|
-0.512135668269E+03 -0.512135207637E+03 -0.512134713833E+03 -0.512134184751E+03 -0.512133618141E+03
|
||
|
-0.512133011605E+03 -0.512132362582E+03 -0.512131668340E+03 -0.512130925963E+03 -0.512130132342E+03
|
||
|
-0.512129284158E+03 -0.512128377872E+03 -0.512127409709E+03 -0.512126375642E+03 -0.512125271376E+03
|
||
|
-0.512124092331E+03 -0.512122833621E+03 -0.512121490037E+03 -0.512120056023E+03 -0.512118525656E+03
|
||
|
-0.512116892616E+03 -0.512115150169E+03 -0.512113291131E+03 -0.512111307843E+03 -0.512109192139E+03
|
||
|
-0.512106935311E+03 -0.512104528076E+03 -0.512101960535E+03 -0.512099222134E+03 -0.512096301621E+03
|
||
|
-0.512093187000E+03 -0.512089865481E+03 -0.512086323427E+03 -0.512082546303E+03 -0.512078518608E+03
|
||
|
-0.512074223819E+03 -0.512069644322E+03 -0.512064761336E+03 -0.512059554842E+03 -0.512054003496E+03
|
||
|
-0.512048084546E+03 -0.512041773734E+03 -0.512035045204E+03 -0.512027871389E+03 -0.512020222905E+03
|
||
|
-0.512012068425E+03 -0.512003374557E+03 -0.511994105703E+03 -0.511984223916E+03 -0.511973688747E+03
|
||
|
-0.511962457076E+03 -0.511950482940E+03 -0.511937717346E+03 -0.511924108068E+03 -0.511909599438E+03
|
||
|
-0.511894132118E+03 -0.511877642862E+03 -0.511860064253E+03 -0.511841324436E+03 -0.511821346823E+03
|
||
|
-0.511800049783E+03 -0.511777346312E+03 -0.511753143681E+03 -0.511727343060E+03 -0.511699839121E+03
|
||
|
-0.511670519610E+03 -0.511639264898E+03 -0.511605947496E+03 -0.511570431544E+03 -0.511532572263E+03
|
||
|
-0.511492215379E+03 -0.511449196498E+03 -0.511403340456E+03 -0.511354460613E+03 -0.511302358112E+03
|
||
|
-0.511246821087E+03 -0.511187623822E+03 -0.511124525856E+03 -0.511057271030E+03 -0.510985586482E+03
|
||
|
-0.510909181568E+03 -0.510827746721E+03 -0.510740952247E+03 -0.510648447028E+03 -0.510549857170E+03
|
||
|
-0.510444784543E+03 -0.510332805252E+03 -0.510213468007E+03 -0.510086292395E+03 -0.509950767054E+03
|
||
|
-0.509806347734E+03 -0.509652455246E+03 -0.509488473296E+03 -0.509313746192E+03 -0.509127576416E+03
|
||
|
-0.508929222071E+03 -0.508717894178E+03 -0.508492753825E+03 -0.508252909176E+03 -0.507997412302E+03
|
||
|
-0.507725255870E+03 -0.507435369648E+03 -0.507126616848E+03 -0.506797790289E+03 -0.506447608382E+03
|
||
|
-0.506074710942E+03 -0.505677654806E+03 -0.505254909288E+03 -0.504804851440E+03 -0.504325761154E+03
|
||
|
-0.503815816090E+03 -0.503273086451E+03 -0.502695529616E+03 -0.502080984642E+03 -0.501427166663E+03
|
||
|
-0.500731661210E+03 -0.499991918482E+03 -0.499205247609E+03 -0.498368810944E+03 -0.497479618459E+03
|
||
|
-0.496534522280E+03 -0.495530211467E+03 -0.494463207098E+03 -0.493329857778E+03 -0.492126335685E+03
|
||
|
-0.490848633278E+03 -0.489492560832E+03 -0.488053744972E+03 -0.486527628398E+03 -0.484909471024E+03
|
||
|
-0.483194352801E+03 -0.481377178475E+03 -0.479452684621E+03 -0.477415449290E+03 -0.475259904657E+03
|
||
|
-0.472980353090E+03 -0.470570987116E+03 -0.468025913776E+03 -0.465339183916E+03 -0.462504827011E+03
|
||
|
-0.459516892116E+03 -0.456369495624E+03 -0.453056876489E+03 -0.449573459612E+03 -0.445913928097E+03
|
||
|
-0.442073305048E+03 -0.438047045576E+03 -0.433831139600E+03 -0.429422225971E+03 -0.424817718285E+03
|
||
|
-0.420015942630E+03 -0.415016287242E+03 -0.409819363835E+03 -0.404427179972E+03 -0.398843321457E+03
|
||
|
-0.393073143224E+03 -0.387123966507E+03 -0.381005279210E+03 -0.374728934973E+03 -0.368309344111E+03
|
||
|
-0.361763645105E+03 -0.355111836650E+03 -0.348376832873E+03 -0.341584370386E+03 -0.334762631873E+03
|
||
|
-0.327941339414E+03 -0.321149902578E+03 -0.314414030485E+03 -0.307750260604E+03 -0.301158691582E+03
|
||
|
-0.294616637188E+03 -0.288079838453E+03 -0.281500128742E+03 -0.274863016645E+03 -0.268230066035E+03
|
||
|
-0.261723088032E+03 -0.255301407254E+03 -0.248415887666E+03 -0.240536390710E+03 -0.234024841569E+03
|
||
|
-0.227729957444E+03 -0.221562982247E+03 -0.215509236595E+03 -0.209556600825E+03 -0.203690962812E+03
|
||
|
-0.197914659759E+03 -0.192268648085E+03 -0.186748950624E+03 -0.181356985848E+03 -0.176093588356E+03
|
||
|
-0.170959183830E+03 -0.165953787877E+03 -0.161077019433E+03 -0.156328127024E+03 -0.151706015159E+03
|
||
|
-0.147209276852E+03 -0.142836216560E+03 -0.138584869502E+03 -0.134453012590E+03 -0.130438172196E+03
|
||
|
-0.126537632443E+03 -0.122748451063E+03 -0.119067488741E+03 -0.115491457282E+03 -0.112016983163E+03
|
||
|
-0.108640694911E+03 -0.105359312026E+03 -0.102169733702E+03 -0.990691190094E+02 -0.960549444022E+02
|
||
|
-0.931250354354E+02 -0.902775696201E+02 -0.875110507809E+02 -0.848242574403E+02 -0.822161693630E+02
|
||
|
-0.796858777873E+02 -0.772324864916E+02 -0.748550125995E+02 -0.725522974764E+02
|
||
|
core charge-density (pseudized)
|
||
|
0.179606555317E-07 0.191477183260E-07 0.204132369461E-07 0.217623967254E-07 0.232007257086E-07
|
||
|
0.247341173018E-07 0.263688544207E-07 0.281116352337E-07 0.299696006073E-07 0.319503633649E-07
|
||
|
0.340620394795E-07 0.363132813283E-07 0.387133131446E-07 0.412719688135E-07 0.439997321648E-07
|
||
|
0.469077799297E-07 0.500080275365E-07 0.533131779321E-07 0.568367736318E-07 0.605932522078E-07
|
||
|
0.645980054458E-07 0.688674424114E-07 0.734190566843E-07 0.782714980364E-07 0.834446488474E-07
|
||
|
0.889597055707E-07 0.948392655836E-07 0.101107419777E-06 0.107789851268E-06 0.114913940628E-06
|
||
|
0.122508878079E-06 0.130605783091E-06 0.139237831895E-06 0.148440393416E-06 0.158251174195E-06
|
||
|
0.168710372887E-06 0.179860844971E-06 0.191748278344E-06 0.204421380525E-06 0.217932078224E-06
|
||
|
0.232335730112E-06 0.247691353640E-06 0.264061866862E-06 0.281514346232E-06 0.300120301441E-06
|
||
|
0.319955968422E-06 0.341102621715E-06 0.363646907481E-06 0.387681198527E-06 0.413303972787E-06
|
||
|
0.440620216828E-06 0.469741856014E-06 0.500788213114E-06 0.533886497203E-06 0.569172324891E-06
|
||
|
0.606790275992E-06 0.646894485921E-06 0.689649277242E-06 0.735229832959E-06 0.783822914303E-06
|
||
|
0.835627625956E-06 0.890856231863E-06 0.949735024940E-06 0.101250525429E-05 0.107942411366E-05
|
||
|
0.115076579528E-05 0.122682261331E-05 0.130790620154E-05 0.139434879027E-05 0.148650456755E-05
|
||
|
0.158475113043E-05 0.168949103206E-05 0.180115343111E-05 0.192019585013E-05 0.204710605018E-05
|
||
|
0.218240402933E-05 0.232664415322E-05 0.248041742648E-05 0.264435391421E-05 0.281912532353E-05
|
||
|
0.300544775573E-05 0.320408464034E-05 0.341584986304E-05 0.364161110033E-05 0.388229337462E-05
|
||
|
0.413888284419E-05 0.441243084370E-05 0.470405819166E-05 0.501495978259E-05 0.534640948270E-05
|
||
|
0.569976534906E-05 0.607647519369E-05 0.647808251538E-05 0.690623282351E-05 0.736268037975E-05
|
||
|
0.784929538533E-05 0.836807164321E-05 0.892113472664E-05 0.951075068750E-05 0.101393353401E-04
|
||
|
0.108094641585E-04 0.115238828277E-04 0.122855184923E-04 0.130974917483E-04 0.139631294274E-04
|
||
|
0.148859782256E-04 0.158698192331E-04 0.169186834235E-04 0.180368681674E-04 0.192289548354E-04
|
||
|
0.204998275662E-04 0.218546932734E-04 0.232991029741E-04 0.248389745273E-04 0.264806168741E-04
|
||
|
0.282307558792E-04 0.300965618796E-04 0.320856790534E-04 0.342062567282E-04 0.364669827578E-04
|
||
|
0.388771191032E-04 0.414465397644E-04 0.441857712166E-04 0.471060355176E-04 0.502192962614E-04
|
||
|
0.535383075670E-04 0.570766663018E-04 0.608488677535E-04 0.648703649768E-04 0.691576320600E-04
|
||
|
0.737282315658E-04 0.786008864265E-04 0.837955565822E-04 0.893335206790E-04 0.952374631572E-04
|
||
|
0.101531567087E-03 0.108241613131E-03 0.115395085031E-03 0.123021282056E-03 0.131151438869E-03
|
||
|
0.139818853297E-03 0.149059022520E-03 0.158909788248E-03 0.169411491461E-03 0.180607137349E-03
|
||
|
0.192542571123E-03 0.205266665398E-03 0.218831519932E-03 0.233292674507E-03 0.248709335829E-03
|
||
|
0.265144619359E-03 0.282665807057E-03 0.301344622084E-03 0.321257521557E-03 0.342486008559E-03
|
||
|
0.365116964642E-03 0.389243004180E-03 0.414962851982E-03 0.442381745684E-03 0.471611864547E-03
|
||
|
0.502772786361E-03 0.535991974294E-03 0.571405295626E-03 0.609157574433E-03 0.649403180425E-03
|
||
|
0.692306656274E-03 0.738043385916E-03 0.786800306465E-03 0.838776666560E-03 0.894184834110E-03
|
||
|
0.953251156618E-03 0.101621687744E-02 0.108333911157E-02 0.115489188469E-02 0.123116723956E-02
|
||
|
0.131247641404E-02 0.139915109513E-02 0.149154475399E-02 0.159003406688E-02 0.169502042750E-02
|
||
|
0.180693155635E-02 0.192622321313E-02 0.205338101861E-02 0.218892239256E-02 0.233339861501E-02
|
||
|
0.248739701819E-02 0.265154331701E-02 0.282650408660E-02 0.301298939541E-02 0.321175560320E-02
|
||
|
0.342360833354E-02 0.364940563091E-02 0.389006131307E-02 0.414654852969E-02 0.441990353886E-02
|
||
|
0.471122971350E-02 0.502170179025E-02 0.535257037377E-02 0.570516670995E-02 0.608090774188E-02
|
||
|
0.648130146289E-02 0.690795258117E-02 0.736256851106E-02 0.784696570597E-02 0.836307634831E-02
|
||
|
0.891295541166E-02 0.949878811050E-02 0.101228977523E-01 0.107877540068E-01 0.114959816058E-01
|
||
|
0.122503694871E-01 0.130538803941E-01 0.139096609415E-01 0.148210521546E-01 0.157916004901E-01
|
||
|
0.168250693386E-01 0.179254510112E-01 0.190969792032E-01 0.203441419257E-01 0.216716948900E-01
|
||
|
0.230846753202E-01 0.245884161639E-01 0.261885606601E-01 0.278910772104E-01 0.297022744911E-01
|
||
|
0.316288167225E-01 0.336777390005E-01 0.358564625714E-01 0.381728099110E-01 0.406350194397E-01
|
||
|
0.432517596805E-01 0.460321426289E-01 0.489857360684E-01 0.521225745213E-01 0.554531684770E-01
|
||
|
0.589885114847E-01 0.627400846377E-01 0.667198579089E-01 0.709402877186E-01 0.754143100370E-01
|
||
|
0.801553282253E-01 0.851771947209E-01 0.904941855586E-01 0.961209665964E-01 0.102072550182E+00
|
||
|
0.108364240852E+00 0.115011568502E+00 0.122030207296E+00 0.129435878420E+00 0.137244234593E+00
|
||
|
0.145470724064E+00 0.154130431643E+00 0.163237894114E+00 0.172806887202E+00 0.182850181103E+00
|
||
|
0.193379261443E+00 0.204404012410E+00 0.215932358757E+00 0.227969863368E+00 0.240519277161E+00
|
||
|
0.253580038316E+00 0.267147718131E+00 0.281213411328E+00 0.295763069357E+00 0.310776776223E+00
|
||
|
0.326227967645E+00 0.342082596055E+00 0.358298246022E+00 0.374823207324E+00 0.391595516097E+00
|
||
|
0.408541978381E+00 0.425577194995E+00 0.442602612153E+00 0.459505628556E+00 0.476158796987E+00
|
||
|
0.492419166645E+00 0.508127821572E+00 0.523109680447E+00 0.537173633563E+00 0.550113103574E+00
|
||
|
0.561707127275E+00 0.571722065388E+00 0.579914055348E+00 0.586032327028E+00 0.589823501777E+00
|
||
|
0.591036988946E+00 0.589431578953E+00 0.584783304838E+00 0.576894601884E+00 0.565604733272E+00
|
||
|
0.550801364881E+00 0.532433059824E+00 0.510522319232E+00 0.485178616911E+00 0.456610660176E+00
|
||
|
0.425136858383E+00 0.391192699559E+00 0.355333434783E+00 0.318230168478E+00 0.280657179667E+00
|
||
|
0.243468096798E+00 0.207558474922E+00 0.173812454381E+00 0.143031609110E+00 0.115844931619E+00
|
||
|
0.926002747203E-01 0.732429748900E-01 0.573511109317E-01 0.444475272298E-01 0.340867861690E-01
|
||
|
0.258615410840E-01 0.194063632640E-01 0.143992872760E-01 0.105614750393E-01 0.765540826479E-02
|
||
|
0.548200472046E-02 0.387702157580E-02 0.270706410411E-02 0.186546543508E-02 0.126824744776E-02
|
||
|
0.850318266502E-03 0.562011288308E-03 0.366026455544E-03 0.234797895613E-03 0.148283552128E-03
|
||
|
0.921518144062E-04 0.563266888096E-04 0.338456938844E-04 0.199821882594E-04 0.115850183587E-04
|
||
|
0.659204491501E-05 0.367926517471E-05 0.201307198064E-05 0.107906240108E-05 0.566299895712E-06
|
||
|
0.290786578917E-06 0.145994616859E-06 0.716195411199E-07 0.343041322614E-07 0.160309522520E-07
|
||
|
0.730359980425E-08 0.324141313156E-08 0.140021256548E-08 0.588226624447E-09 0.240105031470E-09
|
||
|
0.951400957316E-10 0.365608315391E-10 0.136121668984E-10 0.490512006454E-11
|
||
|
pseudo wavefunction
|
||
|
0.185754754288E-07 0.198031731484E-07 0.211120123538E-07 0.225073558805E-07 0.239949210062E-07
|
||
|
0.255808028774E-07 0.272714994834E-07 0.290739382812E-07 0.309955045800E-07 0.330440718015E-07
|
||
|
0.352280337410E-07 0.375563389598E-07 0.400385274507E-07 0.426847697278E-07 0.455059084986E-07
|
||
|
0.485135030909E-07 0.517198768164E-07 0.551381674638E-07 0.587823811294E-07 0.626674496061E-07
|
||
|
0.668092915646E-07 0.712248777783E-07 0.759323006598E-07 0.809508483919E-07 0.863010839600E-07
|
||
|
0.920049294055E-07 0.980857556501E-07 0.104568478255E-06 0.111479659511E-06 0.118847617272E-06
|
||
|
0.126702540988E-06 0.135076615400E-06 0.144004152417E-06 0.153521731699E-06 0.163668350547E-06
|
||
|
0.174485583684E-06 0.186017753604E-06 0.198312112181E-06 0.211419034274E-06 0.225392224138E-06
|
||
|
0.240288935467E-06 0.256170205987E-06 0.273101107549E-06 0.291151012757E-06 0.310393879212E-06
|
||
|
0.330908552545E-06 0.352779089479E-06 0.376095102241E-06 0.400952125739E-06 0.427452009003E-06
|
||
|
0.455703332504E-06 0.485821853042E-06 0.517930978053E-06 0.552162271253E-06 0.588655991705E-06
|
||
|
0.627561668513E-06 0.669038713498E-06 0.713257074369E-06 0.760397931063E-06 0.810654438106E-06
|
||
|
0.864232516035E-06 0.921351695136E-06 0.982246014935E-06 0.104716498315E-05 0.111637459799E-05
|
||
|
0.119015843810E-05 0.126881882440E-05 0.135267805890E-05 0.144207974519E-05 0.153739019636E-05
|
||
|
0.163899993591E-05 0.174732529782E-05 0.186281013244E-05 0.198592762510E-05 0.211718223487E-05
|
||
|
0.225711176153E-05 0.240628954907E-05 0.256532683491E-05 0.273487525425E-05 0.291562951011E-05
|
||
|
0.310833021964E-05 0.331376694872E-05 0.353278144697E-05 0.376627109667E-05 0.401519258955E-05
|
||
|
0.428056584661E-05 0.456347819699E-05 0.486508883298E-05 0.518663355956E-05 0.552942985767E-05
|
||
|
0.589488228227E-05 0.628448821702E-05 0.669984400932E-05 0.714265151086E-05 0.761472505025E-05
|
||
|
0.811799886664E-05 0.865453503447E-05 0.922653191198E-05 0.983633314803E-05 0.104864372841E-04
|
||
|
0.111795079911E-04 0.119183849819E-04 0.127060956463E-04 0.135458674533E-04 0.144411411745E-04
|
||
|
0.153955849800E-04 0.164131094664E-04 0.174978836782E-04 0.186543521868E-04 0.198872532993E-04
|
||
|
0.212016384696E-04 0.226028929922E-04 0.240967580641E-04 0.256893543031E-04 0.273872068214E-04
|
||
|
0.291972719551E-04 0.311269657596E-04 0.331841943879E-04 0.353773864762E-04 0.377155276683E-04
|
||
|
0.402081974218E-04 0.428656082447E-04 0.456986475246E-04 0.487189221211E-04 0.519388059035E-04
|
||
|
0.553714904281E-04 0.590310389639E-04 0.629324440852E-04 0.670916890686E-04 0.715258133446E-04
|
||
|
0.762529822716E-04 0.812925615167E-04 0.866651963487E-04 0.923928961661E-04 0.984991246054E-04
|
||
|
0.105008895599E-03 0.111948875773E-03 0.119347493604E-03 0.127235055783E-03 0.135643871252E-03
|
||
|
0.144608383434E-03 0.154165311182E-03 0.164353799029E-03 0.175215577348E-03 0.186795133079E-03
|
||
|
0.199139891710E-03 0.212300411263E-03 0.226330589065E-03 0.241287882155E-03 0.257233542207E-03
|
||
|
0.274232865947E-03 0.292355462053E-03 0.311675535648E-03 0.332272191519E-03 0.354229757301E-03
|
||
|
0.377638127936E-03 0.402593132796E-03 0.429196926952E-03 0.457558408181E-03 0.487793661381E-03
|
||
|
0.520026432194E-03 0.554388631742E-03 0.591020874506E-03 0.630073051508E-03 0.671704941099E-03
|
||
|
0.716086859798E-03 0.763400355787E-03 0.813838947831E-03 0.867608912568E-03 0.924930123311E-03
|
||
|
0.986036943679E-03 0.105117917961E-02 0.112062309354E-02 0.119465248469E-02 0.127356983976E-02
|
||
|
0.135769755861E-02 0.144737925953E-02 0.154298116941E-02 0.164489360408E-02 0.175353254458E-02
|
||
|
0.186934131552E-02 0.199279237180E-02 0.212438920077E-02 0.226466834686E-02 0.241420156643E-02
|
||
|
0.257359812100E-02 0.274350721742E-02 0.292462060397E-02 0.311767533212E-02 0.332345669404E-02
|
||
|
0.354280134647E-02 0.377660063233E-02 0.402580411191E-02 0.429142331604E-02 0.457453573458E-02
|
||
|
0.487628905385E-02 0.519790565752E-02 0.554068740618E-02 0.590602071145E-02 0.629538192105E-02
|
||
|
0.671034303234E-02 0.715257775209E-02 0.762386792121E-02 0.812611032382E-02 0.866132390048E-02
|
||
|
0.923165738615E-02 0.983939739404E-02 0.104869769667E-01 0.111769846162E-01 0.119121738759E-01
|
||
|
0.126954733852E-01 0.135299975305E-01 0.144190576627E-01 0.153661739144E-01 0.163750876356E-01
|
||
|
0.174497744681E-01 0.185944580758E-01 0.198136245474E-01 0.211120374833E-01 0.224947537773E-01
|
||
|
0.239671400992E-01 0.255348900781E-01 0.272040421827E-01 0.289809982862E-01 0.308725428958E-01
|
||
|
0.328858630170E-01 0.350285686120E-01 0.373087135971E-01 0.397348173097E-01 0.423158863572E-01
|
||
|
0.450614367387E-01 0.479815161083E-01 0.510867260200E-01 0.543882439641E-01 0.578978449679E-01
|
||
|
0.616279224959E-01 0.655915083355E-01 0.698022911053E-01 0.742746329613E-01 0.790235840150E-01
|
||
|
0.840648938979E-01 0.894150198288E-01 0.950911304464E-01 0.101111104565E+00 0.107493523904E+00
|
||
|
0.114257658703E+00 0.121423445018E+00 0.129011452318E+00 0.137042839861E+00 0.145539300127E+00
|
||
|
0.154522987417E+00 0.164016429507E+00 0.174042420031E+00 0.184623889054E+00 0.195783749031E+00
|
||
|
0.207544713156E+00 0.219929082799E+00 0.232958500576E+00 0.246653665291E+00 0.261034004874E+00
|
||
|
0.276117303211E+00 0.291919276712E+00 0.308453096382E+00 0.325728851246E+00 0.343752949164E+00
|
||
|
0.362527451377E+00 0.382049337704E+00 0.402309700048E+00 0.423292862945E+00 0.444975431321E+00
|
||
|
0.467325267438E+00 0.490300401363E+00 0.513847882179E+00 0.537902580730E+00 0.562385958992E+00
|
||
|
0.587204826287E+00 0.612250108595E+00 0.637395664223E+00 0.662497187077E+00 0.687391247780E+00
|
||
|
0.711894532836E+00 0.735803352754E+00 0.758893501374E+00 0.780920560160E+00 0.801620752348E+00
|
||
|
0.820712461977E+00 0.837898540765E+00 0.852869530397E+00 0.865307927319E+00 0.874893609591E+00
|
||
|
0.881310528290E+00 0.884254736550E+00 0.883443784437E+00 0.878627443992E+00 0.869599642561E+00
|
||
|
0.856211370701E+00 0.838384191088E+00 0.816123805759E+00 0.789532941934E+00 0.758822595821E+00
|
||
|
0.724320438490E+00 0.686474953267E+00 0.645853663554E+00 0.603133656376E+00 0.559082554376E+00
|
||
|
0.514528193293E+00 0.470315590307E+00 0.427250416934E+00 0.386029197256E+00 0.347157910353E+00
|
||
|
0.310866184322E+00 0.277159416359E+00 0.246008267847E+00 0.217364061767E+00 0.191159194390E+00
|
||
|
0.167309570350E+00 0.145717077091E+00 0.126272056755E+00 0.108855735354E+00 0.933425721603E-01
|
||
|
0.796024965540E-01 0.675030044684E-01 0.569110916423E-01 0.476950058212E-01 0.397258046458E-01
|
||
|
0.328787102658E-01 0.270342558076E-01 0.220792227473E-01 0.179073720862E-01 0.144199759243E-01
|
||
|
0.115261595280E-01 0.914306715502E-02 0.719586761943E-02 0.561761774321E-02 0.434900337483E-02
|
||
|
0.333797854081E-02 0.253932355889E-02 0.191414263293E-02 0.142932060918E-02 0.105695731034E-02
|
||
|
0.773796192679E-03 0.560662074385E-03 0.401920422089E-03 0.284968245335E-03 0.199764138698E-03
|
||
|
0.138402541795E-03 0.947349689081E-04 0.640388883975E-04 0.427331791362E-04
|
||
|
ae wavefunction
|
||
|
-0.549850766089E-05 -0.582433527241E-05 -0.616828944686E-05 -0.653145096920E-05 -0.691496222402E-05
|
||
|
-0.732003093696E-05 -0.774793414779E-05 -0.820002241666E-05 -0.867772428062E-05 -0.918255098060E-05
|
||
|
-0.971610146968E-05 -0.102800677272E-04 -0.108762403905E-04 -0.115065147319E-04 -0.121728969984E-04
|
||
|
-0.128775111362E-04 -0.136226059295E-04 -0.144105625743E-04 -0.152439027159E-04 -0.161252969849E-04
|
||
|
-0.170575740525E-04 -0.180437302493E-04 -0.190869397754E-04 -0.201905655422E-04 -0.213581706855E-04
|
||
|
-0.225935307915E-04 -0.239006468832E-04 -0.252837592103E-04 -0.267473618992E-04 -0.282962185148E-04
|
||
|
-0.299353785874E-04 -0.316701951785E-04 -0.335063435340E-04 -0.354498409077E-04 -0.375070676234E-04
|
||
|
-0.396847894546E-04 -0.419901814047E-04 -0.444308529784E-04 -0.470148750375E-04 -0.497508083418E-04
|
||
|
-0.526477338826E-04 -0.557152851213E-04 -0.589636822543E-04 -0.624037686343E-04 -0.660470494811E-04
|
||
|
-0.699057330307E-04 -0.739927742742E-04 -0.783219214521E-04 -0.829077654767E-04 -0.877657924696E-04
|
||
|
-0.929124396082E-04 -0.983651544927E-04 -0.104142458254E-03 -0.110264012635E-03 -0.116750691305E-03
|
||
|
-0.123624655660E-03 -0.130909435397E-03 -0.138630014166E-03 -0.146812920607E-03 -0.155486325114E-03
|
||
|
-0.164680142690E-03 -0.174426142255E-03 -0.184758062828E-03 -0.195711736996E-03 -0.207325222124E-03
|
||
|
-0.219638939794E-03 -0.232695823967E-03 -0.246541478425E-03 -0.261224344021E-03 -0.276795876427E-03
|
||
|
-0.293310734883E-03 -0.310826982789E-03 -0.329406300701E-03 -0.349114212607E-03 -0.370020326205E-03
|
||
|
-0.392198588083E-03 -0.415727554675E-03 -0.440690679932E-03 -0.467176620743E-03 -0.495279561126E-03
|
||
|
-0.525099556342E-03 -0.556742898076E-03 -0.590322501983E-03 -0.625958318835E-03 -0.663777770749E-03
|
||
|
-0.703916213885E-03 -0.746517429173E-03 -0.791734142726E-03 -0.839728577582E-03 -0.890673038641E-03
|
||
|
-0.944750532633E-03 -0.100215542513E-02 -0.106309413670E-02 -0.112778588035E-02 -0.119646344263E-02
|
||
|
-0.126937401073E-02 -0.134678004817E-02 -0.142896022166E-02 -0.151621038203E-02 -0.160884460187E-02
|
||
|
-0.170719627327E-02 -0.181161926849E-02 -0.192248916701E-02 -0.204020455244E-02 -0.216518838267E-02
|
||
|
-0.229788943720E-02 -0.243878384531E-02 -0.258837669923E-02 -0.274720375626E-02 -0.291583323427E-02
|
||
|
-0.309486770494E-02 -0.328494608919E-02 -0.348674575963E-02 -0.370098475469E-02 -0.392842410929E-02
|
||
|
-0.416987030726E-02 -0.442617786031E-02 -0.469825201895E-02 -0.498705162040E-02 -0.529359207886E-02
|
||
|
-0.561894852328E-02 -0.596425908799E-02 -0.633072836132E-02 -0.671963099729E-02 -0.713231549542E-02
|
||
|
-0.757020815342E-02 -0.803481719743E-02 -0.852773709398E-02 -0.905065304783E-02 -0.960534568909E-02
|
||
|
-0.101936959527E-01 -0.108176901529E-01 -0.114794252542E-01 -0.121811143401E-01 -0.129250922794E-01
|
||
|
-0.137138215898E-01 -0.145498984954E-01 -0.154360591760E-01 -0.163751862023E-01 -0.173703151506E-01
|
||
|
-0.184246413885E-01 -0.195415270209E-01 -0.207245079827E-01 -0.219773012632E-01 -0.233038122433E-01
|
||
|
-0.247081421241E-01 -0.261945954200E-01 -0.277676874902E-01 -0.294321520716E-01 -0.311929487784E-01
|
||
|
-0.330552705230E-01 -0.350245508110E-01 -0.371064708554E-01 -0.393069664500E-01 -0.416322345327E-01
|
||
|
-0.440887393658E-01 -0.466832182475E-01 -0.494226866662E-01 -0.523144427929E-01 -0.553660712050E-01
|
||
|
-0.585854457176E-01 -0.619807311921E-01 -0.655603841776E-01 -0.693331522306E-01 -0.733080717430E-01
|
||
|
-0.774944640981E-01 -0.819019299581E-01 -0.865403414727E-01 -0.914198321855E-01 -0.965507843957E-01
|
||
|
-0.101943813722E+00 -0.107609750598E+00 -0.113559618406E+00 -0.119804607961E+00 -0.126356048008E+00
|
||
|
-0.133225371426E+00 -0.140424076760E+00 -0.147963684762E+00 -0.155855689533E+00 -0.164111503914E+00
|
||
|
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|
||
|
-0.221898539736E+00 -0.232999264503E+00 -0.244543412764E+00 -0.256538065336E+00 -0.268989273961E+00
|
||
|
-0.281901918577E+00 -0.295279554804E+00 -0.309124251521E+00 -0.323436418492E+00 -0.338214624095E+00
|
||
|
-0.353455403299E+00 -0.369153056135E+00 -0.385299437068E+00 -0.401883735787E+00 -0.418892250119E+00
|
||
|
-0.436308151947E+00 -0.454111247219E+00 -0.472277731352E+00 -0.490779941612E+00 -0.509586108253E+00
|
||
|
-0.528660106548E+00 -0.547961212028E+00 -0.567443861520E+00 -0.587057422721E+00 -0.606745975106E+00
|
||
|
-0.626448104866E+00 -0.646096716377E+00 -0.665618862323E+00 -0.684935594344E+00 -0.703961835960E+00
|
||
|
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|
||
|
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|
||
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|
||
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-0.875840249992E+00 -0.871240239532E+00 -0.863921291308E+00 -0.853734194189E+00 -0.840535350255E+00
|
||
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|
||
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-0.691168706716E+00 -0.653682410381E+00 -0.612437659099E+00 -0.567418031154E+00 -0.518630121278E+00
|
||
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|
||
|
-0.150420451932E+00 -0.776783756668E-01 -0.221180194657E-02 0.757134190274E-01 0.155801489073E+00
|
||
|
0.237727718564E+00 0.321140028575E+00 0.405660932870E+00 0.490890023654E+00 0.576406946663E+00
|
||
|
0.661774765347E+00 0.746543481334E+00 0.830253352131E+00 0.912437654029E+00 0.992624825440E+00
|
||
|
0.107034051043E+01 0.114511061139E+01 0.121646642197E+01 0.128395185908E+01 0.134713149727E+01
|
||
|
0.140559786327E+01 0.145897734512E+01 0.150693496135E+01 0.154917846166E+01 0.158546203271E+01
|
||
|
0.161558963138E+01 0.163941781673E+01 0.165685790166E+01 0.166787726699E+01 0.167249974079E+01
|
||
|
0.167080501148E+01 0.166292710049E+01 0.164905196263E+01 0.162941430473E+01 0.160429373102E+01
|
||
|
0.157401032940E+01 0.153891981458E+01 0.149940834551E+01 0.145588712729E+01 0.140878690414E+01
|
||
|
0.135855244064E+01 0.130563707820E+01 0.125049744572E+01 0.119358839014E+01 0.113535818471E+01
|
||
|
0.107624406160E+01 0.101666810939E+01 0.957033565049E+00 0.897721528815E+00 0.839088118445E+00
|
||
|
0.781462077811E+00 0.725142849674E+00 0.670399113963E+00 0.617467788208E+00 0.566553479711E+00
|
||
|
0.517828372391E+00 0.471432524984E+00 0.427474552029E+00 0.386032655028E+00 0.347155968519E+00
|
||
|
0.310866184322E+00 0.277159416359E+00 0.246008267847E+00 0.217364061767E+00 0.191159194390E+00
|
||
|
0.167309570350E+00 0.145717077091E+00 0.126272056755E+00 0.108855735354E+00 0.933425721603E-01
|
||
|
0.796024965540E-01 0.675030044684E-01 0.569110916423E-01 0.476950058212E-01 0.397258046458E-01
|
||
|
0.328787102658E-01 0.270342558076E-01 0.220792227473E-01 0.179073720862E-01 0.144199759243E-01
|
||
|
0.115261595280E-01 0.914306715502E-02 0.719586761943E-02 0.561761774321E-02 0.434900337483E-02
|
||
|
0.333797854081E-02 0.253932355889E-02 0.191414263293E-02 0.142932060918E-02 0.105695731034E-02
|
||
|
0.773796192679E-03 0.560662074385E-03 0.401920422089E-03 0.284968245335E-03 0.199764138698E-03
|
||
|
0.138402541795E-03 0.947349689081E-04 0.640388883975E-04 0.427331791362E-04
|
||
|
pseudo wavefunction
|
||
|
-0.188537231770E-08 -0.200998109406E-08 -0.214282556299E-08 -0.228445004111E-08 -0.243543482024E-08
|
||
|
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|
||
|
-0.357557248622E-08 -0.381189063914E-08 -0.406382762434E-08 -0.433241572774E-08 -0.461875546146E-08
|
||
|
-0.492402007312E-08 -0.524946035302E-08 -0.559640975917E-08 -0.596628988099E-08 -0.636061626409E-08
|
||
|
-0.678100462008E-08 -0.722917744676E-08 -0.770697108588E-08 -0.821634324734E-08 -0.875938103070E-08
|
||
|
-0.933830947683E-08 -0.995550068478E-08 -0.106134835312E-07 -0.113149540320E-07 -0.120627863893E-07
|
||
|
-0.128600447678E-07 -0.137099958500E-07 -0.146161222210E-07 -0.155821366381E-07 -0.166119972433E-07
|
||
|
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|
||
|
-0.243888260002E-07 -0.260007415650E-07 -0.277191924348E-07 -0.295512197752E-07 -0.315043301179E-07
|
||
|
-0.335865261184E-07 -0.358063393450E-07 -0.381728652364E-07 -0.406958003687E-07 -0.433854821858E-07
|
||
|
-0.462529313555E-07 -0.493098969254E-07 -0.525689044624E-07 -0.560433073748E-07 -0.597473416254E-07
|
||
|
-0.636961840613E-07 -0.679060145985E-07 -0.723940825165E-07 -0.771787771343E-07 -0.822797031570E-07
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
-0.598315935413E-06 -0.637859800862E-06 -0.680017178375E-06 -0.724960796198E-06 -0.772874797917E-06
|
||
|
-0.823955496826E-06 -0.878412180150E-06 -0.936467966397E-06 -0.998360719367E-06 -0.106434402255E-05
|
||
|
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|
||
|
-0.156260349257E-05 -0.166587786447E-05 -0.177597763591E-05 -0.189335387959E-05 -0.201848747599E-05
|
||
|
-0.215189108282E-05 -0.229411123449E-05 -0.244573058031E-05 -0.260737027046E-05 -0.277969249954E-05
|
||
|
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|
||
|
-0.408093603715E-05 -0.435064233012E-05 -0.463817244402E-05 -0.494470416374E-05 -0.527149308484E-05
|
||
|
-0.561987775184E-05 -0.599128513559E-05 -0.638723647192E-05 -0.680935348542E-05 -0.725936502371E-05
|
||
|
-0.773911412916E-05 -0.825056557692E-05 -0.879581390979E-05 -0.937709200275E-05 -0.999678019183E-05
|
||
|
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|
||
|
-0.146759920796E-04 -0.156458011462E-04 -0.166796850374E-04 -0.177818755830E-04 -0.189568838910E-04
|
||
|
-0.202095187492E-04 -0.215449062357E-04 -0.229685106160E-04 -0.244861566119E-04 -0.261040531309E-04
|
||
|
-0.278288185506E-04 -0.296675076597E-04 -0.316276403638E-04 -0.337172322680E-04 -0.359448272609E-04
|
||
|
-0.383195322269E-04 -0.408510540248E-04 -0.435497388798E-04 -0.464266143422E-04 -0.494934339793E-04
|
||
|
-0.527627249747E-04 -0.562478388205E-04 -0.599630053008E-04 -0.639233899749E-04 -0.681451553825E-04
|
||
|
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|
||
|
-0.100012801981E-03 -0.106615331841E-03 -0.113653207113E-03 -0.121155059986E-03 -0.129151395799E-03
|
||
|
-0.137674714216E-03 -0.146759638052E-03 -0.156443050217E-03 -0.166764239234E-03 -0.177765053861E-03
|
||
|
-0.189490067332E-03 -0.201986751774E-03 -0.215305663380E-03 -0.229500638956E-03 -0.244629004446E-03
|
||
|
-0.260751796127E-03 -0.277933995128E-03 -0.296244775994E-03 -0.315757770024E-03 -0.336551344129E-03
|
||
|
-0.358708895982E-03 -0.382319166245E-03 -0.407476568678E-03 -0.434281538923E-03 -0.462840902788E-03
|
||
|
-0.493268264818E-03 -0.525684417966E-03 -0.560217775112E-03 -0.597004823186E-03 -0.636190600570E-03
|
||
|
-0.677929198418E-03 -0.722384286430E-03 -0.769729663523E-03 -0.820149833715E-03 -0.873840607374E-03
|
||
|
-0.931009727785E-03 -0.991877522769E-03 -0.105667758080E-02 -0.112565745071E-02 -0.119907936377E-02
|
||
|
-0.127722097628E-02 -0.136037613052E-02 -0.144885563098E-02 -0.154298803238E-02 -0.164312043468E-02
|
||
|
-0.174961927982E-02 -0.186287114324E-02 -0.198328351226E-02 -0.211128554160E-02 -0.224732877480E-02
|
||
|
-0.239188781792E-02 -0.254546094979E-02 -0.270857065036E-02 -0.288176402549E-02 -0.306561310309E-02
|
||
|
-0.326071497155E-02 -0.346769172664E-02 -0.368719018806E-02 -0.391988134084E-02 -0.416645944987E-02
|
||
|
-0.442764078858E-02 -0.470416191392E-02 -0.499677741000E-02 -0.530625701198E-02 -0.563338200924E-02
|
||
|
-0.597894081276E-02 -0.634372355621E-02 -0.672851558238E-02 -0.713408964684E-02 -0.756119664875E-02
|
||
|
-0.801055467379E-02 -0.848283610681E-02 -0.897865254118E-02 -0.949853717765E-02 -0.100429243681E-01
|
||
|
-0.106121259182E-01 -0.112063037164E-01 -0.118254382083E-01 -0.124692921789E-01 -0.131373692468E-01
|
||
|
-0.138288664095E-01 -0.145426199106E-01 -0.152770436233E-01 -0.160300590689E-01 -0.167990161036E-01
|
||
|
-0.175806032220E-01 -0.183707463372E-01 -0.191644948075E-01 -0.199558933929E-01 -0.207378387369E-01
|
||
|
-0.215019188967E-01 -0.222382343732E-01 -0.229351990467E-01 -0.235793193944E-01 -0.241549503737E-01
|
||
|
-0.246440263968E-01 -0.250257659235E-01 -0.252763483625E-01 -0.253685622209E-01 -0.252714237929E-01
|
||
|
-0.249497661571E-01 -0.243637988816E-01 -0.234686396510E-01 -0.222138200537E-01 -0.205427690552E-01
|
||
|
-0.183922792552E-01 -0.156919629406E-01 -0.123637072404E-01 -0.832114041055E-02 -0.346912446129E-02
|
||
|
0.229670696604E-02 0.909034235213E-02 0.170356898103E-01 0.262667452185E-01 0.369275921153E-01
|
||
|
0.491721884241E-01 0.631638888116E-01 0.790746452910E-01 0.970838229195E-01 0.117376562589E+00
|
||
|
0.140141619628E+00 0.165568606053E+00 0.193844566862E+00 0.225149828061E+00 0.259653067672E+00
|
||
|
0.297505582559E+00 0.338834755583E+00 0.383736771454E+00 0.432268687966E+00 0.484440044158E+00
|
||
|
0.540204279975E+00 0.599450354188E+00 0.661995078237E+00 0.727576830946E+00 0.795851477590E+00
|
||
|
0.866391477745E+00 0.938689315884E+00 0.101216650720E+01 0.108618949200E+01 0.116009370070E+01
|
||
|
0.123322657804E+01 0.130519211636E+01 0.137583725452E+01 0.144502482521E+01 0.151262309404E+01
|
||
|
0.157850540659E+01 0.164254994936E+01 0.170463967364E+01 0.176466242473E+01 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
0.248597926645E-05 0.263329251296E-05 0.278880113509E-05 0.295299377833E-05 0.312638693870E-05
|
||
|
0.330952665425E-05 0.350299030142E-05 0.370738849680E-05 0.392336711193E-05 0.415160941060E-05
|
||
|
0.439283831310E-05 0.464781879892E-05 0.491736045292E-05 0.520232016767E-05 0.550360500992E-05
|
||
|
0.582217526067E-05 0.615904764286E-05 0.651529874581E-05 0.689206865894E-05 0.729056483127E-05
|
||
|
0.771206616540E-05 0.815792736645E-05 0.862958355827E-05 0.912855518520E-05 0.965645321765E-05
|
||
|
0.102149846793E-04 0.108059585191E-04 0.114312918455E-04 0.120930165505E-04 0.127932863450E-04
|
||
|
0.135343842315E-04 0.143187304456E-04 0.151488908899E-04 0.160275860962E-04 0.169577007488E-04
|
||
|
0.179422938020E-04 0.189846092327E-04 0.200880874652E-04 0.212563775142E-04 0.224933498879E-04
|
||
|
0.238031103035E-04 0.251900142618E-04 0.266586825404E-04 0.282140176595E-04 0.298612213846E-04
|
||
|
0.316058133308E-04 0.334536507379E-04 0.354109494919E-04 0.374843064694E-04 0.396807232917E-04
|
||
|
0.420076315737E-04 0.444729197650E-04 0.470849616826E-04 0.498526468402E-04 0.527854126899E-04
|
||
|
0.558932788936E-04 0.591868837532E-04 0.626775229341E-04 0.663771906262E-04 0.702986232930E-04
|
||
|
0.744553461726E-04 0.788617227004E-04 0.835330070356E-04 0.884853998842E-04 0.937361078229E-04
|
||
|
0.993034063405E-04 0.105206706826E-03 0.111466627748E-03 0.118105070277E-03 0.125145298642E-03
|
||
|
0.132612025472E-03 0.140531502486E-03 0.148931616789E-03 0.157841993178E-03 0.167294102775E-03
|
||
|
0.177321378396E-03 0.187959337054E-03 0.199245710023E-03 0.211220580916E-03 0.223926532263E-03
|
||
|
0.237408801081E-03 0.251715443982E-03 0.266897512385E-03 0.283009238397E-03 0.300108232039E-03
|
||
|
0.318255690429E-03 0.337516619649E-03 0.357960070022E-03 0.379659385556E-03 0.402692468398E-03
|
||
|
0.427142059120E-03 0.453096033757E-03 0.480647718526E-03 0.509896223238E-03 0.540946794416E-03
|
||
|
0.573911189225E-03 0.608908071364E-03 0.646063430091E-03 0.685511023668E-03 0.727392848499E-03
|
||
|
0.771859635361E-03 0.819071374133E-03 0.869197868521E-03 0.922419322334E-03 0.978926958911E-03
|
||
|
0.103892367540E-02 0.110262473356E-02 0.117025848905E-02 0.124206716085E-02 0.131830764290E-02
|
||
|
0.139925235995E-02 0.148519016958E-02 0.157642731252E-02 0.167328841354E-02 0.177611753496E-02
|
||
|
0.188527928511E-02 0.200115998411E-02 0.212416888913E-02 0.225473948163E-02 0.239333081887E-02
|
||
|
0.254042895210E-02 0.269654841375E-02 0.286223377599E-02 0.303806128295E-02 0.322464055887E-02
|
||
|
0.342261639431E-02 0.363267061250E-02 0.385552401772E-02 0.409193842763E-02 0.434271879096E-02
|
||
|
0.460871539202E-02 0.489082614313E-02 0.518999896575E-02 0.550723426064E-02 0.584358746726E-02
|
||
|
0.620017171168E-02 0.657816054229E-02 0.697879075138E-02 0.740336528060E-02 0.785325620692E-02
|
||
|
0.832990780538E-02 0.883483968357E-02 0.936964998191E-02 0.993601863255E-02 0.105357106683E-01
|
||
|
0.111705795718E-01 0.118425706533E-01 0.125537244433E-01 0.133061800859E-01 0.141021787141E-01
|
||
|
0.149440667890E-01 0.158342993789E-01 0.167754433550E-01 0.177701804762E-01 0.188213103297E-01
|
||
|
0.199317530962E-01 0.211045520999E-01 0.223428761015E-01 0.236500212889E-01 0.250294129151E-01
|
||
|
0.264846065266E-01 0.280192887246E-01 0.296372773909E-01 0.313425213096E-01 0.331390991053E-01
|
||
|
0.350312174173E-01 0.370232082181E-01 0.391195251814E-01 0.413247389967E-01 0.436435315197E-01
|
||
|
0.460806886429E-01 0.486410917615E-01 0.513297077035E-01 0.541515769853E-01 0.571118002485E-01
|
||
|
0.602155227236E-01 0.634679165643E-01 0.668741608861E-01 0.704394193401E-01 0.741688150467E-01
|
||
|
0.780674027118E-01 0.821401377442E-01 0.863918421925E-01 0.908271673194E-01 0.954505526361E-01
|
||
|
0.100266181219E+00 0.105277931144E+00 0.110489322880E+00 0.115903462489E+00 0.121522980519E+00
|
||
|
0.127349966458E+00 0.133385898692E+00 0.139631569876E+00 0.146087007733E+00 0.152751391262E+00
|
||
|
0.159622962449E+00 0.166698933561E+00 0.173975390235E+00 0.181447190563E+00 0.189107860514E+00
|
||
|
0.196949486084E+00 0.204962602665E+00 0.213136082237E+00 0.221457019089E+00 0.229910614905E+00
|
||
|
0.238480064176E+00 0.247146441011E+00 0.255888588539E+00 0.264683012161E+00 0.273503777955E+00
|
||
|
0.282322417495E+00 0.291107840252E+00 0.299826254606E+00 0.308441098382E+00 0.316912979777E+00
|
||
|
0.325199629802E+00 0.333255867902E+00 0.341033583318E+00 0.348481735913E+00 0.355546381327E+00
|
||
|
0.362170726165E+00 0.368295219290E+00 0.373857684912E+00 0.378793502139E+00 0.383035834020E+00
|
||
|
0.386515907225E+00 0.389163341959E+00 0.390906530936E+00 0.391673066393E+00 0.391390214788E+00
|
||
|
0.389985439350E+00 0.387386970784E+00 0.383524425999E+00 0.378329473969E+00 0.371736547023E+00
|
||
|
0.363683595055E+00 0.354112879370E+00 0.342971802138E+00 0.330213766595E+00 0.315799062237E+00
|
||
|
0.299695768212E+00 0.281880667002E+00 0.262340159234E+00 0.241071169215E+00 0.218082029378E+00
|
||
|
0.193393330578E+00 0.167038723842E+00 0.139065658125E+00 0.109536037702E+00 0.785267823396E-01
|
||
|
0.461302732029E-01 0.124546677641E-01 -0.223759325128E-01 -0.582214774021E-01 -0.949261416829E-01
|
||
|
-0.132318693810E+00 -0.170213077236E+00 -0.208409222407E+00 -0.246694102114E+00 -0.284843024028E+00
|
||
|
-0.322621113407E+00 -0.359784877712E+00 -0.396083689579E+00 -0.431261034932E+00 -0.465055514482E+00
|
||
|
-0.497201860057E+00 -0.527432488856E+00 -0.555480077407E+00 -0.581081131943E+00 -0.603979931853E+00
|
||
|
-0.623932136168E+00 -0.640707773354E+00 -0.654093740696E+00 -0.663896030764E+00 -0.669941803017E+00
|
||
|
-0.672081300923E+00 -0.670189547566E+00 -0.664167732869E+00 -0.653944218868E+00 -0.639475118814E+00
|
||
|
-0.620744436996E+00 -0.597763782251E+00 -0.570571686718E+00 -0.539232571451E+00 -0.503835407537E+00
|
||
|
-0.464492123596E+00 -0.421335810658E+00 -0.374518775093E+00 -0.324210486561E+00 -0.270595465139E+00
|
||
|
-0.213871147121E+00 -0.154245763812E+00 -0.919362634004E-01 -0.271663006553E-01 0.398356845214E-01
|
||
|
0.108838282307E+00 0.179608807174E+00 0.251914858699E+00 0.325525738441E+00 0.400213713758E+00
|
||
|
0.475755122618E+00 0.551931315183E+00 0.628529431955E+00 0.705343021685E+00 0.782172505721E+00
|
||
|
0.858825498035E+00 0.935116991756E+00 0.101086942276E+01 0.108591262016E+01 0.116008365229E+01
|
||
|
0.123322657804E+01 0.130519211636E+01 0.137583725452E+01 0.144502482521E+01 0.151262309404E+01
|
||
|
0.157850540659E+01 0.164254994936E+01 0.170463967364E+01 0.176466242473E+01 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
pseudo wavefunction
|
||
|
0.775130852884E-12 0.853232311779E-12 0.939203200513E-12 0.103383643546E-11 0.113800482652E-11
|
||
|
0.125266912706E-11 0.137888689509E-11 0.151782224717E-11 0.167075659514E-11 0.183910046470E-11
|
||
|
0.202440650479E-11 0.222838380779E-11 0.245291367265E-11 0.270006695622E-11 0.297212317293E-11
|
||
|
0.327159151895E-11 0.360123401470E-11 0.396409097917E-11 0.436350907104E-11 0.480317215516E-11
|
||
|
0.528713527913E-11 0.581986207334E-11 0.640626591936E-11 0.705175526645E-11 0.776228351412E-11
|
||
|
0.854440392081E-11 0.940533004507E-11 0.103530022768E-10 0.113961610720E-10 0.125444275670E-10
|
||
|
0.138083923144E-10 0.151997129610E-10 0.167312217670E-10 0.184170439590E-10 0.202727280081E-10
|
||
|
0.223153890342E-10 0.245638666608E-10 0.270388987737E-10 0.297633127883E-10 0.327622361885E-10
|
||
|
0.360633282798E-10 0.396970352922E-10 0.436968711892E-10 0.480997267687E-10 0.529462099100E-10
|
||
|
0.582810201032E-10 0.641533607156E-10 0.706173927984E-10 0.777327346176E-10 0.855650115178E-10
|
||
|
0.941864611890E-10 0.103676599921E-09 0.114122955985E-09 0.125621876918E-09 0.138279418136E-09
|
||
|
0.152212321097E-09 0.167549090010E-09 0.184431177041E-09 0.203014286934E-09 0.223469813087E-09
|
||
|
0.245986418323E-09 0.270771774939E-09 0.298054480081E-09 0.328086164111E-09 0.361143811402E-09
|
||
|
0.397532314989E-09 0.437587288608E-09 0.481678162081E-09 0.530211588589E-09 0.583635195252E-09
|
||
|
0.642441711616E-09 0.707173514121E-09 0.778427628462E-09 0.856861235980E-09 0.943197734874E-09
|
||
|
0.103823341213E-08 0.114284478769E-08 0.125799669865E-08 0.138475119793E-08 0.152427734968E-08
|
||
|
0.167786201150E-08 0.184692170323E-08 0.203301567147E-08 0.223786027054E-08 0.246334479242E-08
|
||
|
0.271154889169E-08 0.298476176614E-08 0.328550327006E-08 0.361654715472E-08 0.398094665069E-08
|
||
|
0.438206262762E-08 0.482359459140E-08 0.530961480455E-08 0.584460584443E-08 0.643350194575E-08
|
||
|
0.708173450861E-08 0.779528219186E-08 0.858072605363E-08 0.944531024772E-08 0.103970088355E-07
|
||
|
0.114445993297E-07 0.125977436478E-07 0.138670772225E-07 0.152643070904E-07 0.168023198633E-07
|
||
|
0.184953005790E-07 0.203588635262E-07 0.224101962512E-07 0.246682180734E-07 0.271537545729E-07
|
||
|
0.298897296575E-07 0.329013769815E-07 0.362164726662E-07 0.398655914671E-07 0.438823887512E-07
|
||
|
0.483039108837E-07 0.531709368872E-07 0.585283545233E-07 0.644255742655E-07 0.709169849790E-07
|
||
|
0.780624555110E-07 0.859278868160E-07 0.945858197066E-07 0.104116103834E-06 0.114606634067E-06
|
||
|
0.126154161059E-06 0.138865183474E-06 0.152856930103E-06 0.168258440918E-06 0.185211757044E-06
|
||
|
0.203873230596E-06 0.224414966485E-06 0.247026409462E-06 0.271916091041E-06 0.299313552398E-06
|
||
|
0.329471460981E-06 0.362667940326E-06 0.399209134569E-06 0.439432031272E-06 0.483707568596E-06
|
||
|
0.532444055447E-06 0.586090936110E-06 0.645142934069E-06 0.710144613188E-06 0.781695398280E-06
|
||
|
0.860455101318E-06 0.947150004200E-06 0.104257955409E-05 0.114762373303E-05 0.126325116965E-05
|
||
|
0.139052806770E-05 0.153062803370E-05 0.168484289401E-05 0.185459460110E-05 0.204144833847E-05
|
||
|
0.224712694490E-05 0.247352679085E-05 0.272273525286E-05 0.299704994700E-05 0.329899989802E-05
|
||
|
0.363136883909E-05 0.399722085622E-05 0.439992861325E-05 0.484320441659E-05 0.533113440549E-05
|
||
|
0.586821618163E-05 0.645940022375E-05 0.711013546764E-05 0.782641946970E-05 0.861485361449E-05
|
||
|
0.948270387266E-05 0.104379676663E-04 0.114894474546E-04 0.126468317141E-04 0.139207840554E-04
|
||
|
0.153230412910E-04 0.168665213531E-04 0.185654420471E-04 0.204354517262E-04 0.224937730808E-04
|
||
|
0.247593613552E-04 0.272530784348E-04 0.299978843902E-04 0.330190482222E-04 0.363443797268E-04
|
||
|
0.400044845869E-04 0.440330450075E-04 0.484671284421E-04 0.533475272065E-04 0.587191320555E-04
|
||
|
0.646313431001E-04 0.711385217752E-04 0.783004879330E-04 0.861830665365E-04 0.948586888688E-04
|
||
|
0.104407053649E-03 0.114915853980E-03 0.126481576618E-03 0.139210380703E-03 0.153219063760E-03
|
||
|
0.168636123546E-03 0.185602925150E-03 0.204274983651E-03 0.224823373608E-03 0.247436277776E-03
|
||
|
0.272320688560E-03 0.299704277053E-03 0.329837445871E-03 0.362995583507E-03 0.399481539621E-03
|
||
|
0.439628342429E-03 0.483802181348E-03 0.532405680131E-03 0.585881488054E-03 0.644716219171E-03
|
||
|
0.709444772338E-03 0.780655067604E-03 0.858993237671E-03 0.945169316476E-03 0.103996347053E-02
|
||
|
0.114423282250E-02 0.125891892059E-02 0.138505591167E-02 0.152377948076E-02 0.167633662422E-02
|
||
|
0.184409632936E-02 0.202856123836E-02 0.223138038016E-02 0.245436305966E-02 0.269949399956E-02
|
||
|
0.296894983632E-02 0.326511707750E-02 0.359061163399E-02 0.394830004648E-02 0.434132253051E-02
|
||
|
0.477311797021E-02 0.524745099415E-02 0.576844127077E-02 0.634059516226E-02 0.696883987616E-02
|
||
|
0.765856025223E-02 0.841563831725E-02 0.924649573275E-02 0.101581392486E-01 0.111582092588E-01
|
||
|
0.122550315320E-01 0.134576721612E-01 0.147759957367E-01 0.162207266984E-01 0.178035137644E-01
|
||
|
0.195369972573E-01 0.214348790590E-01 0.235119948175E-01 0.257843878959E-01 0.282693844005E-01
|
||
|
0.309856684389E-01 0.339533565440E-01 0.371940699472E-01 0.407310030901E-01 0.445889864269E-01
|
||
|
0.487945411814E-01 0.533759232790E-01 0.583631531781E-01 0.637880277575E-01 0.696841097957E-01
|
||
|
0.760866898829E-01 0.830327148530E-01 0.905606760035E-01 0.987104495065E-01 0.107523080499E+00
|
||
|
0.117040501416E+00 0.127305174192E+00 0.138359645096E+00 0.150246000139E+00 0.163005208394E+00
|
||
|
0.176676340129E+00 0.191295646622E+00 0.206895488890E+00 0.223503103617E+00 0.241139196327E+00
|
||
|
0.259816354670E+00 0.279537278767E+00 0.300292831074E+00 0.322059915641E+00 0.344799206123E+00
|
||
|
0.368452753813E+00 0.392941521605E+00 0.418162907389E+00 0.443988341003E+00 0.470261062589E+00
|
||
|
0.496794216667E+00 0.523369424868E+00 0.549736030025E+00 0.575611233525E+00 0.600681374076E+00
|
||
|
0.624604616052E+00 0.647015324938E+00 0.667530400527E+00 0.685757808600E+00 0.701307490753E+00
|
||
|
0.713804730747E+00 0.722905904774E+00 0.728316333037E+00 0.729809673634E+00 0.727247953093E+00
|
||
|
0.720600913531E+00 0.709962886833E+00 0.695564907814E+00 0.677779296696E+00 0.657113545542E+00
|
||
|
0.634190131184E+00 0.609708976599E+00 0.584389850512E+00 0.558893209070E+00 0.533720024822E+00
|
||
|
0.509098840070E+00 0.485045599962E+00 0.461575207316E+00 0.438702663500E+00 0.416440239835E+00
|
||
|
0.394797821609E+00 0.373783237489E+00 0.353402564548E+00 0.333660402089E+00 0.314560112219E+00
|
||
|
0.296104021859E+00 0.278293587648E+00 0.261129520550E+00 0.244611869831E+00 0.228740064391E+00
|
||
|
0.213512910570E+00 0.198928546361E+00 0.184984354717E+00 0.171676841933E+00 0.159001481076E+00
|
||
|
0.146952595181E+00 0.135523143890E+00 0.124704636005E+00 0.114487029304E+00 0.104858692098E+00
|
||
|
0.958064231465E-01 0.873155308396E-01 0.793699665623E-01 0.719525019327E-01 0.650449357377E-01
|
||
|
0.586283141625E-01 0.526831474857E-01 0.471896078191E-01 0.421276956203E-01
|
||
|
ae wavefunction
|
||
|
0.455475903536E-09 0.498370036326E-09 0.544913302335E-09 0.595448207984E-09 0.650347037659E-09
|
||
|
0.710014660271E-09 0.774891588329E-09 0.845457310855E-09 0.922233926750E-09 0.100579010811E-08
|
||
|
0.109674542345E-08 0.119577505643E-08 0.130361495586E-08 0.142106745946E-08 0.154900743547E-08
|
||
|
0.168838899032E-08 0.184025279778E-08 0.200573410688E-08 0.218607149274E-08 0.238261642287E-08
|
||
|
0.259684371252E-08 0.283036295721E-08 0.308493103251E-08 0.336246576343E-08 0.366506087462E-08
|
||
|
0.399500234224E-08 0.435478628283E-08 0.474713852280E-08 0.517503601128E-08 0.564173025112E-08
|
||
|
0.615077293936E-08 0.670604403252E-08 0.731178246293E-08 0.797261976433E-08 0.869361688448E-08
|
||
|
0.948030448916E-08 0.103387270942E-07 0.112754913924E-07 0.122978191797E-07 0.134136053221E-07
|
||
|
0.146314812505E-07 0.159608845142E-07 0.174121349798E-07 0.189965183156E-07 0.207263774662E-07
|
||
|
0.226152128901E-07 0.246777924071E-07 0.269302715874E-07 0.293903257029E-07 0.320772943623E-07
|
||
|
0.350123400588E-07 0.382186219835E-07 0.417214865844E-07 0.455486764995E-07 0.497305596496E-07
|
||
|
0.543003804521E-07 0.592945353068E-07 0.647528747179E-07 0.707190346449E-07 0.772407999287E-07
|
||
|
0.843705029216E-07 0.921654607468E-07 0.100688454961E-06 0.110008257748E-06 0.120200209185E-06
|
||
|
0.131346850571E-06 0.143538619265E-06 0.156874611078E-06 0.171463416748E-06 0.187424039827E-06
|
||
|
0.204886903782E-06 0.223994957195E-06 0.244904886470E-06 0.267788446667E-06 0.292833921912E-06
|
||
|
0.320247728068E-06 0.350256171540E-06 0.383107379440E-06 0.419073417845E-06 0.458452616457E-06
|
||
|
0.501572119847E-06 0.548790687290E-06 0.600501765527E-06 0.657136860885E-06 0.719169240079E-06
|
||
|
0.787117991566E-06 0.861552482546E-06 0.943097250189E-06 0.103243736912E-05 0.113032434161E-05
|
||
|
0.123758256110E-05 0.135511640476E-05 0.148391801600E-05 0.162507584396E-05 0.177978401305E-05
|
||
|
0.194935260309E-05 0.213521892790E-05 0.233895990893E-05 0.256230564954E-05 0.280715432578E-05
|
||
|
0.307558852042E-05 0.336989313913E-05 0.369257506101E-05 0.404638468989E-05 0.443433958876E-05
|
||
|
0.485975039695E-05 0.532624924822E-05 0.583782092924E-05 0.639883703926E-05 0.701409343742E-05
|
||
|
0.768885129036E-05 0.842888206186E-05 0.924051681880E-05 0.101307002616E-04 0.111070499257E-04
|
||
|
0.121779210424E-04 0.133524775910E-04 0.146407701245E-04 0.160538210038E-04 0.176037177340E-04
|
||
|
0.193037151582E-04 0.211683473345E-04 0.232135499958E-04 0.254567945724E-04 0.279172348471E-04
|
||
|
0.306158674064E-04 0.335757071564E-04 0.368219792831E-04 0.403823291605E-04 0.442870518398E-04
|
||
|
0.485693428983E-04 0.532655725772E-04 0.584155853110E-04 0.640630269235E-04 0.702557019688E-04
|
||
|
0.770459638988E-04 0.844911409697E-04 0.926540010426E-04 0.101603258696E-03 0.111414128352E-03
|
||
|
0.122168927412E-03 0.133957733750E-03 0.146879102214E-03 0.161040845213E-03 0.176560882825E-03
|
||
|
0.193568168310E-03 0.212203695355E-03 0.232621593879E-03 0.254990321722E-03 0.279493960095E-03
|
||
|
0.306333621273E-03 0.335728977570E-03 0.367919921360E-03 0.403168366511E-03 0.441760202390E-03
|
||
|
0.484007412285E-03 0.530250368933E-03 0.580860320627E-03 0.636242082238E-03 0.696836946379E-03
|
||
|
0.763125830847E-03 0.835632679394E-03 0.914928133870E-03 0.100163349672E-02 0.109642500378E-02
|
||
|
0.120003842842E-02 0.131327403877E-02 0.143700193110E-02 0.157216776304E-02 0.171979891129E-02
|
||
|
0.188101107939E-02 0.205701538167E-02 0.224912593031E-02 0.245876795282E-02 0.268748646764E-02
|
||
|
0.293695554581E-02 0.320898818646E-02 0.350554683381E-02 0.382875456245E-02 0.418090695716E-02
|
||
|
0.456448471184E-02 0.498216697061E-02 0.543684543191E-02 0.593163923335E-02 0.646991063205E-02
|
||
|
0.705528149085E-02 0.769165057589E-02 0.838321166541E-02 0.913447246309E-02 0.995027430131E-02
|
||
|
0.108358126114E-01 0.117966581273E-01 0.128387787794E-01 0.139685622200E-01 0.151928389119E-01
|
||
|
0.165189056916E-01 0.179545497059E-01 0.195080725991E-01 0.211883148093E-01 0.230046798106E-01
|
||
|
0.249671581148E-01 0.270863508228E-01 0.293734924891E-01 0.318404730397E-01 0.344998584537E-01
|
||
|
0.373649098946E-01 0.404496009458E-01 0.437686325735E-01 0.473374454003E-01 0.511722288221E-01
|
||
|
0.552899264328E-01 0.597082371284E-01 0.644456111424E-01 0.695212401236E-01 0.749550402172E-01
|
||
|
0.807676270001E-01 0.869802810681E-01 0.936149031463E-01 0.100693957787E+00 0.108240405023E+00
|
||
|
0.116277619708E+00 0.124829298593E+00 0.133919355439E+00 0.143571804505E+00 0.153810632529E+00
|
||
|
0.164659658963E+00 0.176142383684E+00 0.188281821106E+00 0.201100319614E+00 0.214619365510E+00
|
||
|
0.228859371136E+00 0.243839447252E+00 0.259577159998E+00 0.276088272989E+00 0.293386475218E+00
|
||
|
0.311483095652E+00 0.330386805720E+00 0.350103311263E+00 0.370635035975E+00 0.391980798934E+00
|
||
|
0.414135489350E+00 0.437089742300E+00 0.460829619793E+00 0.485336302170E+00 0.510585795343E+00
|
||
|
0.536548659884E+00 0.563189768312E+00 0.590468097056E+00 0.618336559589E+00 0.646741886992E+00
|
||
|
0.675624562058E+00 0.704918813076E+00 0.734552674217E+00 0.764448121488E+00 0.794521296714E+00
|
||
|
0.824682836972E+00 0.854838330642E+00 0.884888918669E+00 0.914732040106E+00 0.944262271888E+00
|
||
|
0.973372126256E+00 0.100195256709E+01 0.102989295645E+01 0.105708025642E+01 0.108339766912E+01
|
||
|
0.110872342368E+01 0.113293078595E+01 0.115589006267E+01 0.117747226641E+01 0.119755307400E+01
|
||
|
0.121601581484E+01 0.123275320813E+01 0.124766831083E+01 0.126067521195E+01 0.127169975737E+01
|
||
|
0.128068035035E+01 0.128756874825E+01 0.129233073969E+01 0.129494660442E+01 0.129541129832E+01
|
||
|
0.129373434622E+01 0.128993945613E+01 0.128406388768E+01 0.127615761381E+01 0.126628231914E+01
|
||
|
0.125451027595E+01 0.124092313600E+01 0.122561067463E+01 0.120866951750E+01 0.119020187828E+01
|
||
|
0.117031433034E+01 0.114911663009E+01 0.112672060714E+01 0.110323912960E+01 0.107878515104E+01
|
||
|
0.105347084032E+01 0.102740679563E+01 0.100070133898E+01 0.973459890998E+00 0.945784420766E+00
|
||
|
0.917772971415E+00 0.889519258344E+00 0.861112339984E+00 0.832636359935E+00 0.804170358846E+00
|
||
|
0.775788152709E+00 0.747558272760E+00 0.719543960155E+00 0.691803207844E+00 0.664388841694E+00
|
||
|
0.637348634891E+00 0.610725451311E+00 0.584557417029E+00 0.558878121007E+00 0.533716847323E+00
|
||
|
0.509098840070E+00 0.485045599962E+00 0.461575207316E+00 0.438702663500E+00 0.416440239835E+00
|
||
|
0.394797821609E+00 0.373783237489E+00 0.353402564548E+00 0.333660402089E+00 0.314560112219E+00
|
||
|
0.296104021859E+00 0.278293587648E+00 0.261129520550E+00 0.244611869831E+00 0.228740064391E+00
|
||
|
0.213512910570E+00 0.198928546361E+00 0.184984354717E+00 0.171676841933E+00 0.159001481076E+00
|
||
|
0.146952595181E+00 0.135523143890E+00 0.124704636005E+00 0.114487029304E+00 0.104858692098E+00
|
||
|
0.958064231465E-01 0.873155308396E-01 0.793699665623E-01 0.719525019327E-01 0.650449357377E-01
|
||
|
0.586283141625E-01 0.526831474857E-01 0.471896078191E-01 0.421276956203E-01
|
||
|
pseudo wavefunction
|
||
|
0.769418757236E-12 0.846944670732E-12 0.932282022654E-12 0.102621788622E-11 0.112961863940E-11
|
||
|
0.124343795560E-11 0.136872559947E-11 0.150663710895E-11 0.165844445290E-11 0.182554776257E-11
|
||
|
0.200948824513E-11 0.221196239831E-11 0.243483765740E-11 0.268016961867E-11 0.295022099837E-11
|
||
|
0.324748250191E-11 0.357469579580E-11 0.393487879434E-11 0.433135349399E-11 0.476777661249E-11
|
||
|
0.524817331497E-11 0.577697433845E-11 0.635905685680E-11 0.699978946336E-11 0.770508168585E-11
|
||
|
0.848143849044E-11 0.933602027755E-11 0.102767089228E-10 0.113121804720E-10 0.124519851614E-10
|
||
|
0.137066354999E-10 0.150877032266E-10 0.166079260384E-10 0.182813250703E-10 0.201233342135E-10
|
||
|
0.221509424636E-10 0.243828506111E-10 0.268396437202E-10 0.295439809867E-10 0.325208047254E-10
|
||
|
0.357975704148E-10 0.394044999210E-10 0.433748602366E-10 0.477452703043E-10 0.525560387562E-10
|
||
|
0.578515356833E-10 0.636806018643E-10 0.700969992273E-10 0.771599067004E-10 0.849344660227E-10
|
||
|
0.934923825518E-10 0.102912586607E-09 0.113281961448E-09 0.124696144610E-09 0.137260409968E-09
|
||
|
0.151090638690E-09 0.166314388016E-09 0.183072067727E-09 0.201518235151E-09 0.221823020660E-09
|
||
|
0.244173696789E-09 0.268776405464E-09 0.295858059262E-09 0.325668434239E-09 0.358482473630E-09
|
||
|
0.394602823662E-09 0.434362624886E-09 0.478128584742E-09 0.526304359724E-09 0.579334278326E-09
|
||
|
0.637707439103E-09 0.701962221652E-09 0.772691252111E-09 0.850546868972E-09 0.936247139631E-09
|
||
|
0.103058248314E-08 0.113442296029E-08 0.124872629818E-08 0.137454672339E-08 0.151304468511E-08
|
||
|
0.166549755801E-08 0.183331142349E-08 0.201803403798E-08 0.222136910790E-08 0.244519200297E-08
|
||
|
0.269156705272E-08 0.296276658584E-08 0.326129188776E-08 0.358989627004E-08 0.395161046406E-08
|
||
|
0.434977057333E-08 0.478804884231E-08 0.527048752530E-08 0.580153616794E-08 0.638609264510E-08
|
||
|
0.702954833361E-08 0.773783783648E-08 0.851749371718E-08 0.937570674877E-08 0.103203922336E-07
|
||
|
0.113602630051E-07 0.125049097848E-07 0.137648896363E-07 0.151518233312E-07 0.166785025248E-07
|
||
|
0.183590077314E-07 0.202088381854E-07 0.222450547867E-07 0.244864374490E-07 0.269536583013E-07
|
||
|
0.296694723403E-07 0.326589272918E-07 0.359495946164E-07 0.395718237904E-07 0.435590222049E-07
|
||
|
0.479479632672E-07 0.527791255429E-07 0.580970660675E-07 0.639508312699E-07 0.703944092966E-07
|
||
|
0.774872279074E-07 0.852947025346E-07 0.938888395582E-07 0.103348900360E-06 0.113762132281E-06
|
||
|
0.125224573216E-06 0.137841937277E-06 0.151730589673E-06 0.167018619809E-06 0.183847022492E-06
|
||
|
0.202370998136E-06 0.222761383947E-06 0.245206229288E-06 0.269912529749E-06 0.297108135895E-06
|
||
|
0.327043854297E-06 0.359995760216E-06 0.396267743240E-06 0.436194309351E-06 0.480143665247E-06
|
||
|
0.528521113333E-06 0.581772788676E-06 0.640389772362E-06 0.704912619149E-06 0.775936341137E-06
|
||
|
0.854115893376E-06 0.940172211940E-06 0.103489886010E-05 0.113916934378E-05 0.125394516377E-05
|
||
|
0.138028467870E-05 0.151935286054E-05 0.167243203237E-05 0.184093368727E-05 0.202641149724E-05
|
||
|
0.223057563169E-05 0.245530851749E-05 0.270268218548E-05 0.297497736304E-05 0.327470448841E-05
|
||
|
0.360462683999E-05 0.396778599328E-05 0.436752983967E-05 0.480754342439E-05 0.529188288718E-05
|
||
|
0.582501281753E-05 0.641184736747E-05 0.705779549962E-05 0.776881078574E-05 0.855144621291E-05
|
||
|
0.941291450007E-05 0.103611544781E-04 0.114049041423E-04 0.125537810459E-04 0.138183707720E-04
|
||
|
0.152103242936E-04 0.167424651123E-04 0.184289071565E-04 0.202851845157E-04 0.223283941979E-04
|
||
|
0.245773532114E-04 0.270527714066E-04 0.297774416517E-04 0.327764490766E-04 0.360774012886E-04
|
||
|
0.397106816546E-04 0.437097279514E-04 0.481113389134E-04 0.529560114574E-04 0.582883116403E-04
|
||
|
0.641572827040E-04 0.706168938963E-04 0.777265341164E-04 0.855515548330E-04 0.941638671583E-04
|
||
|
0.103642598441E-03 0.114074814265E-03 0.125556312307E-03 0.138192495153E-03 0.152099329837E-03
|
||
|
0.167404402641E-03 0.184248078498E-03 0.202784775256E-03 0.223184364036E-03 0.245633707987E-03
|
||
|
0.270338352927E-03 0.297524384611E-03 0.327440468798E-03 0.360360091757E-03 0.396584020561E-03
|
||
|
0.436443004249E-03 0.480300738947E-03 0.528557122115E-03 0.581651823390E-03 0.640068201992E-03
|
||
|
0.704337603334E-03 0.775044070374E-03 0.852829508376E-03 0.938399345129E-03 0.103252873223E-02
|
||
|
0.113606933700E-02 0.124995677857E-02 0.137521876638E-02 0.151298400362E-02 0.166449192341E-02
|
||
|
0.183110333073E-02 0.201431202840E-02 0.221575751125E-02 0.243723881878E-02 0.268072964236E-02
|
||
|
0.294839478957E-02 0.324260811455E-02 0.356597202941E-02 0.392133871817E-02 0.431183318032E-02
|
||
|
0.474087823692E-02 0.521222163661E-02 0.572996540346E-02 0.629859757060E-02 0.692302644578E-02
|
||
|
0.760861755341E-02 0.836123339511E-02 0.918727616422E-02 0.100937335397E-01 0.110882276704E-01
|
||
|
0.121790674400E-01 0.133753040760E-01 0.146867901321E-01 0.161242418268E-01 0.176993046665E-01
|
||
|
0.194246222127E-01 0.213139077673E-01 0.233820186474E-01 0.256450325990E-01 0.281203257511E-01
|
||
|
0.308266513359E-01 0.337842181978E-01 0.370147678711E-01 0.405416487268E-01 0.443898853655E-01
|
||
|
0.485862410592E-01 0.531592706227E-01 0.581393606081E-01 0.635587531778E-01 0.694515493992E-01
|
||
|
0.758536870348E-01 0.828028871632E-01 0.903385631663E-01 0.985016847630E-01 0.107334588872E+00
|
||
|
0.116880728157E+00 0.127184347182E+00 0.138290075199E+00 0.150242423790E+00 0.163085176873E+00
|
||
|
0.176860660138E+00 0.191608876817E+00 0.207366496955E+00 0.224165688210E+00 0.242032777803E+00
|
||
|
0.260986737801E+00 0.281037489658E+00 0.302184029165E+00 0.324412379895E+00 0.347693392308E+00
|
||
|
0.371980417057E+00 0.397206895210E+00 0.423283925143E+00 0.450097886079E+00 0.477508221644E+00
|
||
|
0.505345513138E+00 0.533410001051E+00 0.561470743758E+00 0.589265632739E+00 0.616502511952E+00
|
||
|
0.642861671963E+00 0.668000002947E+00 0.691557089228E+00 0.713163504907E+00 0.732451517143E+00
|
||
|
0.749068311465E+00 0.762691711826E+00 0.773048166698E+00 0.779932501886E+00 0.783228594625E+00
|
||
|
0.782929700513E+00 0.779156672758E+00 0.772171772270E+00 0.762385216057E+00 0.750351111760E+00
|
||
|
0.736749068965E+00 0.722347686339E+00 0.707946445319E+00 0.694293482859E+00 0.681978471677E+00
|
||
|
0.671309032367E+00 0.662387117396E+00 0.655344608316E+00 0.650327745912E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
0.445923467012E-09 0.487918001985E-09 0.533485138842E-09 0.582960200773E-09 0.636707664414E-09
|
||
|
0.695123907547E-09 0.758640204015E-09 0.827725986735E-09 0.902892404870E-09 0.984696204017E-09
|
||
|
0.107374395876E-08 0.117069669245E-08 0.127627491916E-08 0.139126414956E-08 0.151652090368E-08
|
||
|
0.165297927788E-08 0.180165812036E-08 0.196366887106E-08 0.214022412904E-08 0.233264701806E-08
|
||
|
0.254238142271E-08 0.277100318116E-08 0.302023232281E-08 0.329194645093E-08 0.358819537938E-08
|
||
|
0.391121714150E-08 0.426345550384E-08 0.464757912518E-08 0.506650252035E-08 0.552340899975E-08
|
||
|
0.602177577214E-08 0.656540142128E-08 0.715843597807E-08 0.780541384097E-08 0.851128981646E-08
|
||
|
0.928147857785E-08 0.101218978717E-07 0.110390158312E-07 0.120399027923E-07 0.131322880451E-07
|
||
|
0.143246219966E-07 0.156261442661E-07 0.170469582853E-07 0.185981130323E-07 0.202916925879E-07
|
||
|
0.221409142702E-07 0.241602361788E-07 0.263654750590E-07 0.287739354854E-07 0.314045514638E-07
|
||
|
0.342780416540E-07 0.374170795373E-07 0.408464799793E-07 0.445934037810E-07 0.486875819672E-07
|
||
|
0.531615617313E-07 0.580509761434E-07 0.633948399363E-07 0.692358739069E-07 0.756208607202E-07
|
||
|
0.826010351789E-07 0.902325123128E-07 0.985767569810E-07 0.107701099030E-06 0.117679298455E-06
|
||
|
0.128592165439E-06 0.140528240630E-06 0.153584541533E-06 0.167867381444E-06 0.183493268093E-06
|
||
|
0.200589889615E-06 0.219297196576E-06 0.239768589245E-06 0.262172220515E-06 0.286692425689E-06
|
||
|
0.313531291531E-06 0.342910378196E-06 0.375072608900E-06 0.410284343764E-06 0.448837655714E-06
|
||
|
0.491052828220E-06 0.537281096414E-06 0.587907655401E-06 0.643354961665E-06 0.704086356251E-06
|
||
|
0.770610040942E-06 0.843483441786E-06 0.923317997744E-06 0.101078441560E-05 0.110661843662E-05
|
||
|
0.121162716454E-05 0.132669600932E-05 0.145279630651E-05 0.159099367761E-05 0.174245720309E-05
|
||
|
0.190846948695E-05 0.209043769879E-05 0.228990568790E-05 0.250856727287E-05 0.274828082010E-05
|
||
|
0.301108523520E-05 0.329921750350E-05 0.361513192846E-05 0.396152123093E-05 0.434133968794E-05
|
||
|
0.475782850642E-05 0.521454364517E-05 0.571538631999E-05 0.626463644690E-05 0.686698930414E-05
|
||
|
0.752759571888E-05 0.825210611342E-05 0.904671877703E-05 0.991823276336E-05 0.108741058504E-04
|
||
|
0.119225180409E-04 0.130724411245E-04 0.143337148715E-04 0.157171304796E-04 0.172345219525E-04
|
||
|
0.188988661505E-04 0.207243923222E-04 0.227267019950E-04 0.249229001881E-04 0.273317389916E-04
|
||
|
0.299737746532E-04 0.328715394133E-04 0.360497294398E-04 0.395354103348E-04 0.433582418113E-04
|
||
|
0.475507232811E-04 0.521484622453E-04 0.571904675417E-04 0.627194696808E-04 0.687822706929E-04
|
||
|
0.754301261146E-04 0.827191619649E-04 0.907108298002E-04 0.994724031931E-04 0.109077519260E-03
|
||
|
0.119606769156E-03 0.131148341775E-03 0.143798725235E-03 0.157663471097E-03 0.172858026650E-03
|
||
|
0.189508641022E-03 0.207753351309E-03 0.227743055407E-03 0.249642678720E-03 0.273632442457E-03
|
||
|
0.299909241810E-03 0.328688142894E-03 0.360204007958E-03 0.394713259078E-03 0.432495791198E-03
|
||
|
0.473857046165E-03 0.519130260149E-03 0.568678897653E-03 0.622899286156E-03 0.682223466276E-03
|
||
|
0.747122273276E-03 0.818108666596E-03 0.895741325076E-03 0.980628526452E-03 0.107343233070E-02
|
||
|
0.117487308769E-02 0.128573429074E-02 0.140686779823E-02 0.153919944688E-02 0.168373508055E-02
|
||
|
0.184156701976E-02 0.201388099746E-02 0.220196358732E-02 0.240721015152E-02 0.263113333492E-02
|
||
|
0.287537213315E-02 0.314170156178E-02 0.343204295354E-02 0.374847491010E-02 0.409324493385E-02
|
||
|
0.446878176397E-02 0.487770843930E-02 0.532285610836E-02 0.580727860416E-02 0.633426779805E-02
|
||
|
0.690736974288E-02 0.753040161097E-02 0.820746942682E-02 0.894298658788E-02 0.974169315946E-02
|
||
|
0.106086759211E-01 0.115493891322E-01 0.125696759734E-01 0.136757906087E-01 0.148744207986E-01
|
||
|
0.161727109810E-01 0.175782857178E-01 0.190992733893E-01 0.207443299978E-01 0.225226629195E-01
|
||
|
0.244440544253E-01 0.265188847619E-01 0.287581545653E-01 0.311735063509E-01 0.337772447974E-01
|
||
|
0.365823555183E-01 0.396025219830E-01 0.428521402190E-01 0.463463308887E-01 0.501009482832E-01
|
||
|
0.541325857118E-01 0.584585766696E-01 0.630969910559E-01 0.680666255716E-01 0.733869872822E-01
|
||
|
0.790782692193E-01 0.851613168505E-01 0.916575843099E-01 0.985890794775E-01 0.105978297292E+00
|
||
|
0.113848141032E+00 0.122221831624E+00 0.131122805270E+00 0.140574599721E+00 0.150600729342E+00
|
||
|
0.161224548700E+00 0.172469103951E+00 0.184356970969E+00 0.196910079140E+00 0.210149520079E+00
|
||
|
0.224095340902E+00 0.238766322166E+00 0.254179740793E+00 0.270351118507E+00 0.287293956484E+00
|
||
|
0.305019457055E+00 0.323536233661E+00 0.342850010592E+00 0.362963314514E+00 0.383875160321E+00
|
||
|
0.405580734393E+00 0.428071078937E+00 0.451332781702E+00 0.475347675932E+00 0.500092555977E+00
|
||
|
0.525538914457E+00 0.551652707168E+00 0.578394152114E+00 0.605717569002E+00 0.633571265341E+00
|
||
|
0.661897475130E+00 0.690632356152E+00 0.719706052661E+00 0.749042832231E+00 0.778561309005E+00
|
||
|
0.808174770407E+00 0.837791628092E+00 0.867316011362E+00 0.896648502234E+00 0.925686963096E+00
|
||
|
0.954327323172E+00 0.982464089678E+00 0.100999030045E+01 0.103679674615E+01 0.106277064083E+01
|
||
|
0.108779443549E+01 0.111174582994E+01 0.113449974097E+01 0.115593190112E+01 0.117592274751E+01
|
||
|
0.119436036104E+01 0.121114217942E+01 0.122617593667E+01 0.123938035483E+01 0.125068586716E+01
|
||
|
0.126003541765E+01 0.126738525925E+01 0.127270563754E+01 0.127598126388E+01 0.127721152173E+01
|
||
|
0.127641038901E+01 0.127360608995E+01 0.126884050862E+01 0.126216840266E+01 0.125365645977E+01
|
||
|
0.124338223775E+01 0.123143302533E+01 0.121790466044E+01 0.120290033583E+01 0.118652942031E+01
|
||
|
0.116890631901E+01 0.115014939049E+01 0.113037993650E+01 0.110972127336E+01 0.108829789231E+01
|
||
|
0.106623471114E+01 0.104365641953E+01 0.102068691568E+01 0.997448835569E+00 0.974063171097E+00
|
||
|
0.950648979815E+00 0.927323185164E+00 0.904200469703E+00 0.881393263100E+00 0.859011826748E+00
|
||
|
0.837164435722E+00 0.815957657937E+00 0.795496728950E+00 0.775886020802E+00 0.757229603722E+00
|
||
|
0.739631902632E+00 0.723198453518E+00 0.708036770423E+00 0.694257338518E+00 0.681974753722E+00
|
||
|
0.671309032367E+00 0.662387117396E+00 0.655344608316E+00 0.650327745912E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
pseudo wavefunction
|
||
|
0.137727917315E-04 0.142206485695E-04 0.146830685955E-04 0.151605253684E-04 0.156535078455E-04
|
||
|
0.161625208844E-04 0.166880857588E-04 0.172307406934E-04 0.177910414145E-04 0.183695617193E-04
|
||
|
0.189668940632E-04 0.195836501671E-04 0.202204616435E-04 0.208779806433E-04 0.215568805237E-04
|
||
|
0.222578565381E-04 0.229816265476E-04 0.237289317563E-04 0.245005374707E-04 0.252972338831E-04
|
||
|
0.261198368808E-04 0.269691888820E-04 0.278461596982E-04 0.287516474249E-04 0.296865793618E-04
|
||
|
0.306519129619E-04 0.316486368123E-04 0.326777716467E-04 0.337403713905E-04 0.348375242403E-04
|
||
|
0.359703537783E-04 0.371400201228E-04 0.383477211164E-04 0.395946935528E-04 0.408822144434E-04
|
||
|
0.422116023249E-04 0.435842186097E-04 0.450014689802E-04 0.464648048285E-04 0.479757247425E-04
|
||
|
0.495357760407E-04 0.511465563570E-04 0.528097152767E-04 0.545269560261E-04 0.563000372163E-04
|
||
|
0.581307746448E-04 0.600210431549E-04 0.619727785555E-04 0.639879796041E-04 0.660687100535E-04
|
||
|
0.682171007654E-04 0.704353518927E-04 0.727257351328E-04 0.750905960542E-04 0.775323564987E-04
|
||
|
0.800535170614E-04 0.826566596523E-04 0.853444501402E-04 0.881196410831E-04 0.909850745472E-04
|
||
|
0.939436850179E-04 0.969985024051E-04 0.100152655146E-03 0.103409373411E-03 0.106771992409E-03
|
||
|
0.110243955807E-03 0.113828819252E-03 0.117530254021E-03 0.121352050772E-03 0.125298123433E-03
|
||
|
0.129372513208E-03 0.133579392718E-03 0.137923070274E-03 0.142407994288E-03 0.147038757836E-03
|
||
|
0.151820103353E-03 0.156756927501E-03 0.161854286177E-03 0.167117399698E-03 0.172551658143E-03
|
||
|
0.178162626881E-03 0.183956052268E-03 0.189937867533E-03 0.196114198862E-03 0.202491371668E-03
|
||
|
0.209075917076E-03 0.215874578615E-03 0.222894319121E-03 0.230142327881E-03 0.237626027990E-03
|
||
|
0.245353083967E-03 0.253331409600E-03 0.261569176065E-03 0.270074820291E-03 0.278857053615E-03
|
||
|
0.287924870706E-03 0.297287558786E-03 0.306954707150E-03 0.316936216997E-03 0.327242311578E-03
|
||
|
0.337883546682E-03 0.348870821454E-03 0.360215389578E-03 0.371928870809E-03 0.384023262901E-03
|
||
|
0.396510953905E-03 0.409404734880E-03 0.422717813016E-03 0.436463825187E-03 0.450656851940E-03
|
||
|
0.465311431954E-03 0.480442576955E-03 0.496065787135E-03 0.512197067065E-03 0.528852942129E-03
|
||
|
0.546050475503E-03 0.563807285683E-03 0.582141564591E-03 0.601072096271E-03 0.620618276203E-03
|
||
|
0.640800131247E-03 0.661638340247E-03 0.683154255299E-03 0.705369923739E-03 0.728308110835E-03
|
||
|
0.751992323235E-03 0.776446833191E-03 0.801696703573E-03 0.827767813717E-03 0.854686886122E-03
|
||
|
0.882481514033E-03 0.911180189935E-03 0.940812334996E-03 0.971408329480E-03 0.100299954418E-02
|
||
|
0.103561837290E-02 0.106929826600E-02 0.110407376507E-02 0.113998053879E-02 0.117705541995E-02
|
||
|
0.121533644377E-02 0.125486288740E-02 0.129567531090E-02 0.133781559950E-02 0.138132700730E-02
|
||
|
0.142625420252E-02 0.147264331422E-02 0.152054198064E-02 0.156999939920E-02 0.162106637825E-02
|
||
|
0.167379539055E-02 0.172824062861E-02 0.178445806201E-02 0.184250549664E-02 0.190244263611E-02
|
||
|
0.196433114522E-02 0.202823471574E-02 0.209421913454E-02 0.216235235411E-02 0.223270456566E-02
|
||
|
0.230534827482E-02 0.238035838014E-02 0.245781225445E-02 0.253778982919E-02 0.262037368197E-02
|
||
|
0.270564912726E-02 0.279370431068E-02 0.288463030672E-02 0.297852122033E-02 0.307547429238E-02
|
||
|
0.317559000929E-02 0.327897221696E-02 0.338572823928E-02 0.349596900140E-02 0.360980915804E-02
|
||
|
0.372736722713E-02 0.384876572899E-02 0.397413133144E-02 0.410359500109E-02 0.423729216125E-02
|
||
|
0.437536285679E-02 0.451795192630E-02 0.466520918216E-02 0.481728959879E-02 0.497435350974E-02
|
||
|
0.513656681413E-02 0.530410119302E-02 0.547713433638E-02 0.565585018131E-02 0.584043916238E-02
|
||
|
0.603109847478E-02 0.622803235131E-02 0.643145235399E-02 0.664157768158E-02 0.685863549392E-02
|
||
|
0.708286125456E-02 0.731449909276E-02 0.755380218667E-02 0.780103316893E-02 0.805646455674E-02
|
||
|
0.832037920809E-02 0.859307080639E-02 0.887484437560E-02 0.916601682842E-02 0.946691755028E-02
|
||
|
0.977788902194E-02 0.100992874839E-01 0.104314836465E-01 0.107748634486E-01 0.111298288704E-01
|
||
|
0.114967988037E-01 0.118762099851E-01 0.122685179978E-01 0.126741983475E-01 0.130937476192E-01
|
||
|
0.135276847218E-01 0.139765522288E-01 0.144409178222E-01 0.149213758509E-01 0.154185490117E-01
|
||
|
0.159330901651E-01 0.164656842980E-01 0.170170506457E-01 0.175879449876E-01 0.181791621335E-01
|
||
|
0.187915386156E-01 0.194259556063E-01 0.200833420813E-01 0.207646782504E-01 0.214709992789E-01
|
||
|
0.222033993275E-01 0.229630359372E-01 0.237511347903E-01 0.245689948818E-01 0.254179941358E-01
|
||
|
0.262995955064E-01 0.272153536056E-01 0.281669219035E-01 0.291560605488E-01 0.301846448641E-01
|
||
|
0.312546745708E-01 0.323682838055E-01 0.335277519919E-01 0.347355156377E-01 0.359941811301E-01
|
||
|
0.373065386074E-01 0.386755769891E-01 0.401045002516E-01 0.415967450387E-01 0.431559997020E-01
|
||
|
0.447862248686E-01 0.464916756352E-01 0.482769254895E-01 0.501468920619E-01 0.521068648068E-01
|
||
|
0.541625347102E-01 0.563200261171E-01 0.585859307609E-01 0.609673440658E-01 0.634719037799E-01
|
||
|
0.661078309696E-01 0.688839733859E-01 0.718098511703E-01 0.748957048332E-01 0.781525453762E-01
|
||
|
0.815922063719E-01 0.852273977296E-01 0.890717607850E-01 0.931399242377E-01 0.974475603237E-01
|
||
|
0.102011440457E+00 0.106849489383E+00 0.111980836682E+00 0.117425864185E+00 0.123206247626E+00
|
||
|
0.129344990460E+00 0.135866447455E+00 0.142796335226E+00 0.150161726385E+00 0.157991023484E+00
|
||
|
0.166313908310E+00 0.175161261494E+00 0.184565046665E+00 0.194558152683E+00 0.205174186696E+00
|
||
|
0.216447210008E+00 0.228411407945E+00 0.241100684184E+00 0.254548169354E+00 0.268785633176E+00
|
||
|
0.283842789109E+00 0.299746480425E+00 0.316519737003E+00 0.334180693048E+00 0.352741357501E+00
|
||
|
0.372206231373E+00 0.392570769771E+00 0.413819691241E+00 0.435925143494E+00 0.458844742907E+00
|
||
|
0.482519515649E+00 0.506871781205E+00 0.531803034657E+00 0.557191902497E+00 0.582892268123E+00
|
||
|
0.608731687186E+00 0.634510239462E+00 0.659999991905E+00 0.684945275898E+00 0.709064008547E+00
|
||
|
0.732050310472E+00 0.753578687456E+00 0.773310045842E+00 0.790892500148E+00 0.806049004267E+00
|
||
|
0.818686825385E+00 0.828781401132E+00 0.836320547779E+00 0.841304463492E+00 0.843745767167E+00
|
||
|
0.843669560315E+00 0.841113497126E+00 0.836127840363E+00 0.828775480054E+00 0.819131898162E+00
|
||
|
0.807285051156E+00 0.793335155760E+00 0.777394350478E+00 0.759586210168E+00 0.740045085622E+00
|
||
|
0.718915241436E+00 0.696349767870E+00 0.672509252112E+00 0.647560209246E+00 0.621673303545E+00
|
||
|
0.595021350088E+00 0.567777305811E+00 0.540112150250E+00 0.512192894771E+00 0.484180757969E+00
|
||
|
0.456229597956E+00 0.428484659387E+00 0.401081663436E+00 0.374146236846E+00 0.347793645373E+00
|
||
|
0.322128770712E+00 0.297246251436E+00 0.273230699973E+00 0.250156911094E+00
|
||
|
ae wavefunction
|
||
|
-0.102067331048E-02 -0.105306730548E-02 -0.108648653405E-02 -0.112096325764E-02 -0.115653074099E-02
|
||
|
-0.119322328264E-02 -0.123107624621E-02 -0.127012609264E-02 -0.131041041332E-02 -0.135196796419E-02
|
||
|
-0.139483870071E-02 -0.143906381391E-02 -0.148468576743E-02 -0.153174833549E-02 -0.158029664201E-02
|
||
|
-0.163037720080E-02 -0.168203795674E-02 -0.173532832816E-02 -0.179029925037E-02 -0.184700322025E-02
|
||
|
-0.190549434217E-02 -0.196582837493E-02 -0.202806278012E-02 -0.209225677157E-02 -0.215847136616E-02
|
||
|
-0.222676943588E-02 -0.229721576122E-02 -0.236987708592E-02 -0.244482217296E-02 -0.252212186207E-02
|
||
|
-0.260184912852E-02 -0.268407914333E-02 -0.276888933495E-02 -0.285635945230E-02 -0.294657162934E-02
|
||
|
-0.303961045096E-02 -0.313556302048E-02 -0.323451902855E-02 -0.333657082348E-02 -0.344181348314E-02
|
||
|
-0.355034488824E-02 -0.366226579713E-02 -0.377767992205E-02 -0.389669400678E-02 -0.401941790581E-02
|
||
|
-0.414596466480E-02 -0.427645060256E-02 -0.441099539421E-02 -0.454972215584E-02 -0.469275753028E-02
|
||
|
-0.484023177422E-02 -0.499227884638E-02 -0.514903649689E-02 -0.531064635761E-02 -0.547725403348E-02
|
||
|
-0.564900919462E-02 -0.582606566929E-02 -0.600858153745E-02 -0.619671922482E-02 -0.639064559735E-02
|
||
|
-0.659053205590E-02 -0.679655463100E-02 -0.700889407751E-02 -0.722773596890E-02 -0.745327079111E-02
|
||
|
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|
||
|
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|
||
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-0.104355559251E-01 -0.107581743272E-01 -0.110904489881E-01 -0.114326480160E-01 -0.117850455569E-01
|
||
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-0.121479218305E-01 -0.125215631574E-01 -0.129062619767E-01 -0.133023168540E-01 -0.137100324780E-01
|
||
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-0.141297196449E-01 -0.145616952297E-01 -0.150062821431E-01 -0.154638092724E-01 -0.159346114065E-01
|
||
|
-0.164190291413E-01 -0.169174087661E-01 -0.174301021285E-01 -0.179574664765E-01 -0.184998642751E-01
|
||
|
-0.190576629969E-01 -0.196312348837E-01 -0.202209566776E-01 -0.208272093189E-01 -0.214503776088E-01
|
||
|
-0.220908498338E-01 -0.227490173509E-01 -0.234252741279E-01 -0.241200162390E-01 -0.248336413108E-01
|
||
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-0.255665479154E-01 -0.263191349084E-01 -0.270918007076E-01 -0.278849425078E-01 -0.286989554297E-01
|
||
|
-0.295342315973E-01 -0.303911591396E-01 -0.312701211134E-01 -0.321714943409E-01 -0.330956481587E-01
|
||
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-0.340429430718E-01 -0.350137293089E-01 -0.360083452719E-01 -0.370271158757E-01 -0.380703507713E-01
|
||
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-0.391383424461E-01 -0.402313641970E-01 -0.413496679673E-01 -0.424934820432E-01 -0.436630086028E-01
|
||
|
-0.448584211094E-01 -0.460798615446E-01 -0.473274374726E-01 -0.486012189292E-01 -0.499012351289E-01
|
||
|
-0.512274709830E-01 -0.525798634210E-01 -0.539582975103E-01 -0.553626023658E-01 -0.567925468435E-01
|
||
|
-0.582478350131E-01 -0.597281014022E-01 -0.612329060078E-01 -0.627617290700E-01 -0.643139656041E-01
|
||
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-0.658889196869E-01 -0.674857984961E-01 -0.691037060988E-01 -0.707416369921E-01 -0.723984693935E-01
|
||
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-0.740729582855E-01 -0.757637282176E-01 -0.774692658714E-01 -0.791879123980E-01 -0.809178555362E-01
|
||
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|
||
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-0.914118512837E-01 -0.931554990336E-01 -0.948894176478E-01 -0.966100323255E-01 -0.983135284893E-01
|
||
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|
||
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|
||
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|
||
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-0.119078752688E+00 -0.119639557806E+00 -0.120066018880E+00 -0.120348801376E+00 -0.120478314210E+00
|
||
|
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|
||
|
-0.117472663286E+00 -0.116243939763E+00 -0.114778951079E+00 -0.113067077748E+00 -0.111097808325E+00
|
||
|
-0.108860802662E+00 -0.106345960971E+00 -0.103543498877E+00 -0.100444028608E+00 -0.970386464300E-01
|
||
|
-0.933190263936E-01 -0.892775204148E-01 -0.849072646399E-01 -0.802022919919E-01 -0.751576507150E-01
|
||
|
-0.697695286507E-01 -0.640353828870E-01 -0.579540743177E-01 -0.515260065334E-01 -0.447532683406E-01
|
||
|
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|
||
|
0.275508185688E-02 0.117097640472E-01 0.209142489031E-01 0.303448070405E-01 0.399746583107E-01
|
||
|
0.497738756171E-01 0.597093030552E-01 0.697444904285E-01 0.798396466178E-01 0.899516148671E-01
|
||
|
0.100033873691E+00 0.110036567670E+00 0.119906572716E+00 0.129587600376E+00 0.139020345242E+00
|
||
|
0.148142678765E+00 0.156889891725E+00 0.165194986816E+00 0.172989022236E+00 0.180201506970E+00
|
||
|
0.186760848286E+00 0.192594851700E+00 0.197631273165E+00 0.201798422547E+00 0.205025816658E+00
|
||
|
0.207244879330E+00 0.208389685134E+00 0.208397742551E+00 0.207210811523E+00 0.204775749344E+00
|
||
|
0.201045377921E+00 0.195979364307E+00 0.189545105355E+00 0.181718606163E+00 0.172485340801E+00
|
||
|
0.161841082711E+00 0.149792691013E+00 0.136358838043E+00 0.121570662638E+00 0.105472333216E+00
|
||
|
0.881215045282E-01 0.695896522554E-01 0.499622702177E-01 0.293389158540E-01 0.783309045864E-02
|
||
|
-0.144280588023E-01 -0.373042279800E-01 -0.606426491061E-01 -0.842789965154E-01 -0.108038507300E+00
|
||
|
-0.131737295185E+00 -0.155183802667E+00 -0.178180300510E+00 -0.200524337892E+00 -0.222010109680E+00
|
||
|
-0.242429848374E+00 -0.261575498025E+00 -0.279240929302E+00 -0.295224705468E+00 -0.309333083373E+00
|
||
|
-0.321382859210E+00 -0.331203876101E+00 -0.338641225851E+00 -0.343557235520E+00 -0.345833284598E+00
|
||
|
-0.345371439504E+00 -0.342095857868E+00 -0.335953906239E+00 -0.326916944551E+00 -0.314980749695E+00
|
||
|
-0.300165570709E+00 -0.282515825467E+00 -0.262099461667E+00 -0.239007012826E+00 -0.213350385650E+00
|
||
|
-0.185261417781E+00 -0.154890245891E+00 -0.122403524265E+00 -0.879825321719E-01 -0.518212063809E-01
|
||
|
-0.141241321847E-01 0.248954771887E-01 0.650177860698E-01 0.106018303647E+00 0.147669792921E+00
|
||
|
0.189744103879E+00 0.232013915942E+00 0.274254376620E+00 0.316244625835E+00 0.357769196592E+00
|
||
|
0.398619286385E+00 0.438593895272E+00 0.477500830172E+00 0.515157577783E+00 0.551392050986E+00
|
||
|
0.586043215418E+00 0.618961603803E+00 0.650009725390E+00 0.679062377339E+00 0.706006864113E+00
|
||
|
0.730743131944E+00 0.753183826881E+00 0.773254289087E+00 0.790892500148E+00 0.806049004267E+00
|
||
|
0.818686825385E+00 0.828781401132E+00 0.836320547779E+00 0.841304463492E+00 0.843745767167E+00
|
||
|
0.843669560315E+00 0.841113497126E+00 0.836127840363E+00 0.828775480054E+00 0.819131898162E+00
|
||
|
0.807285051156E+00 0.793335155760E+00 0.777394350478E+00 0.759586210168E+00 0.740045085622E+00
|
||
|
0.718915241436E+00 0.696349767870E+00 0.672509252112E+00 0.647560209246E+00 0.621673303545E+00
|
||
|
0.595021350088E+00 0.567777305811E+00 0.540112150250E+00 0.512192894771E+00 0.484180757969E+00
|
||
|
0.456229597956E+00 0.428484659387E+00 0.401081663436E+00 0.374146236846E+00 0.347793645373E+00
|
||
|
0.322128770712E+00 0.297246251436E+00 0.273230699973E+00 0.250156911094E+00
|
||
|
pseudo wavefunction
|
||
|
0.408057243940E-04 0.421326247814E-04 0.435026726620E-04 0.449172710849E-04 0.463778687230E-04
|
||
|
0.478859613563E-04 0.494430934039E-04 0.510508595057E-04 0.527109061552E-04 0.544249333860E-04
|
||
|
0.561946965124E-04 0.580220079273E-04 0.599087389583E-04 0.618568217836E-04 0.638682514115E-04
|
||
|
0.659450877227E-04 0.680894575806E-04 0.703035570085E-04 0.725896534394E-04 0.749500880376E-04
|
||
|
0.773872780961E-04 0.799037195128E-04 0.825019893458E-04 0.851847484530E-04 0.879547442169E-04
|
||
|
0.908148133585E-04 0.937678848417E-04 0.968169828736E-04 0.999652300011E-04 0.103215850309E-03
|
||
|
0.106572172721E-03 0.110037634411E-03 0.113615784320E-03 0.117310286792E-03 0.121124925329E-03
|
||
|
0.125063606462E-03 0.129130363753E-03 0.133329361927E-03 0.137664901136E-03 0.142141421362E-03
|
||
|
0.146763506967E-03 0.151535891383E-03 0.156463461966E-03 0.161551264997E-03 0.166804510847E-03
|
||
|
0.172228579323E-03 0.177829025166E-03 0.183611583748E-03 0.189582176943E-03 0.195746919190E-03
|
||
|
0.202112123758E-03 0.208684309210E-03 0.215470206080E-03 0.222476763764E-03 0.229711157639E-03
|
||
|
0.237180796412E-03 0.244893329706E-03 0.252856655894E-03 0.261078930193E-03 0.269568573011E-03
|
||
|
0.278334278571E-03 0.287385023819E-03 0.296730077619E-03 0.306379010238E-03 0.316341703158E-03
|
||
|
0.326628359189E-03 0.337249512925E-03 0.348216041527E-03 0.359539175872E-03 0.371230512047E-03
|
||
|
0.383302023234E-03 0.395766071971E-03 0.408635422813E-03 0.421923255408E-03 0.435643177997E-03
|
||
|
0.449809241355E-03 0.464435953180E-03 0.479538292956E-03 0.495131727298E-03 0.511232225793E-03
|
||
|
0.527856277365E-03 0.545020907158E-03 0.562743693988E-03 0.581042788342E-03 0.599936930979E-03
|
||
|
0.619445472129E-03 0.639588391318E-03 0.660386317840E-03 0.681860551890E-03 0.704033086396E-03
|
||
|
0.726926629548E-03 0.750564628074E-03 0.774971291261E-03 0.800171615770E-03 0.826191411255E-03
|
||
|
0.853057326809E-03 0.880796878286E-03 0.909438476503E-03 0.939011456360E-03 0.969546106918E-03
|
||
|
0.100107370245E-02 0.103362653451E-02 0.106723794503E-02 0.110194236054E-02 0.113777532744E-02
|
||
|
0.117477354848E-02 0.121297492041E-02 0.125241857285E-02 0.129314490842E-02 0.133519564424E-02
|
||
|
0.137861385469E-02 0.142344401568E-02 0.146973205025E-02 0.151752537575E-02 0.156687295253E-02
|
||
|
0.161782533423E-02 0.167043471968E-02 0.172475500658E-02 0.178084184686E-02 0.183875270388E-02
|
||
|
0.189854691154E-02 0.196028573530E-02 0.202403243516E-02 0.208985233083E-02 0.215781286892E-02
|
||
|
0.222798369239E-02 0.230043671232E-02 0.237524618199E-02 0.245248877346E-02 0.253224365659E-02
|
||
|
0.261459258079E-02 0.269961995939E-02 0.278741295684E-02 0.287806157879E-02 0.297165876515E-02
|
||
|
0.306830048631E-02 0.316808584245E-02 0.327111716632E-02 0.337750012925E-02 0.348734385094E-02
|
||
|
0.360076101273E-02 0.371786797483E-02 0.383878489735E-02 0.396363586560E-02 0.409254901941E-02
|
||
|
0.422565668706E-02 0.436309552357E-02 0.450500665383E-02 0.465153582060E-02 0.480283353753E-02
|
||
|
0.495905524753E-02 0.512036148658E-02 0.528691805317E-02 0.545889618373E-02 0.563647273414E-02
|
||
|
0.581983036761E-02 0.600915774922E-02 0.620464974732E-02 0.640650764216E-02 0.661493934192E-02
|
||
|
0.683015960664E-02 0.705239028015E-02 0.728186053056E-02 0.751880709952E-02 0.776347456075E-02
|
||
|
0.801611558820E-02 0.827699123428E-02 0.854637121861E-02 0.882453422782E-02 0.911176822695E-02
|
||
|
0.940837078288E-02 0.971464940051E-02 0.100309218723E-01 0.103575166418E-01 0.106947731819E-01
|
||
|
0.110430423886E-01 0.114026869914E-01 0.117740819800E-01 0.121576150506E-01 0.125536870701E-01
|
||
|
0.129627125612E-01 0.133851202090E-01 0.138213533900E-01 0.142718707256E-01 0.147371466609E-01
|
||
|
0.152176720708E-01 0.157139548948E-01 0.162265208029E-01 0.167559138938E-01 0.173026974285E-01
|
||
|
0.178674546008E-01 0.184507893479E-01 0.190533272033E-01 0.196757161957E-01 0.203186277965E-01
|
||
|
0.209827579198E-01 0.216688279787E-01 0.223775860018E-01 0.231098078153E-01 0.238662982942E-01
|
||
|
0.246478926900E-01 0.254554580383E-01 0.262898946554E-01 0.271521377284E-01 0.280431590083E-01
|
||
|
0.289639686131E-01 0.299156169509E-01 0.308991967723E-01 0.319158453624E-01 0.329667468858E-01
|
||
|
0.340531348949E-01 0.351762950183E-01 0.363375678415E-01 0.375383519994E-01 0.387801074961E-01
|
||
|
0.400643592739E-01 0.413927010511E-01 0.427667994535E-01 0.441883984643E-01 0.456593242202E-01
|
||
|
0.471814901846E-01 0.487569027294E-01 0.503876671634E-01 0.520759942436E-01 0.538242072136E-01
|
||
|
0.556347494141E-01 0.575101925155E-01 0.594532454263E-01 0.614667639354E-01 0.635537611521E-01
|
||
|
0.657174188114E-01 0.679610995177E-01 0.702883600070E-01 0.727029655119E-01 0.752089053209E-01
|
||
|
0.778104096293E-01 0.805119677874E-01 0.833183480561E-01 0.862346189877E-01 0.892661725596E-01
|
||
|
0.924187491893E-01 0.956984647730E-01 0.991118398898E-01 0.102665831324E+00 0.106367866059E+00
|
||
|
0.110225877905E+00 0.114248346912E+00 0.118444341745E+00 0.122823565157E+00 0.127396402735E+00
|
||
|
0.132173975038E+00 0.137168193270E+00 0.142391818586E+00 0.147858525107E+00 0.153582966678E+00
|
||
|
0.159580847376E+00 0.165868995674E+00 0.172465442135E+00 0.179389500380E+00 0.186661850983E+00
|
||
|
0.194304627796E+00 0.202341506042E+00 0.210797791301E+00 0.219700508307E+00 0.229078488142E+00
|
||
|
0.238962452126E+00 0.249385090273E+00 0.260381131751E+00 0.271987404231E+00 0.284242878411E+00
|
||
|
0.297188693288E+00 0.310868156937E+00 0.325326716643E+00 0.340611891179E+00 0.356773156874E+00
|
||
|
0.373861777763E+00 0.391930568727E+00 0.411033578869E+00 0.431225680705E+00 0.452562048860E+00
|
||
|
0.475097510016E+00 0.498885743810E+00 0.523978312346E+00 0.550423493939E+00 0.578264894827E+00
|
||
|
0.607539810968E+00 0.638277310756E+00 0.670496008918E+00 0.704201502014E+00 0.739383437375E+00
|
||
|
0.776012190189E+00 0.814035128343E+00 0.853372451962E+00 0.893912605109E+00 0.935507271348E+00
|
||
|
0.977965983739E+00 0.102105040407E+01 0.106446835663E+01 0.110786773945E+01 0.115083048146E+01
|
||
|
0.119286676801E+01 0.123340981998E+01 0.127181158324E+01 0.130733976435E+01 0.133917673374E+01
|
||
|
0.136642090548E+01 0.138809128924E+01 0.140313598723E+01 0.141044546839E+01 0.140887148078E+01
|
||
|
0.139725244560E+01 0.137444609379E+01 0.133936993501E+01 0.129104986556E+01 0.122875109533E+01
|
||
|
0.115222072399E+01 0.106143261233E+01 0.956525439356E+00 0.837825589230E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
-0.234704302906E-02 -0.242153316736E-02 -0.249838083436E-02 -0.257766021536E-02 -0.265944780275E-02
|
||
|
-0.274382246610E-02 -0.283086552418E-02 -0.292066081903E-02 -0.301329479216E-02 -0.310885656292E-02
|
||
|
-0.320743800902E-02 -0.330913384935E-02 -0.341404172912E-02 -0.352226230727E-02 -0.363389934637E-02
|
||
|
-0.374905980500E-02 -0.386785393251E-02 -0.399039536646E-02 -0.411680123267E-02 -0.424719224785E-02
|
||
|
-0.438169282501E-02 -0.452043118167E-02 -0.466353945078E-02 -0.481115379462E-02 -0.496341452157E-02
|
||
|
-0.512046620584E-02 -0.528245781023E-02 -0.544954281196E-02 -0.562187933157E-02 -0.579963026503E-02
|
||
|
-0.598296341895E-02 -0.617205164912E-02 -0.636707300221E-02 -0.656821086086E-02 -0.677565409197E-02
|
||
|
-0.698959719847E-02 -0.721024047434E-02 -0.743779016306E-02 -0.767245861945E-02 -0.791446447485E-02
|
||
|
-0.816403280575E-02 -0.842139530570E-02 -0.868679046069E-02 -0.896046372773E-02 -0.924266771679E-02
|
||
|
-0.953366237597E-02 -0.983371517981E-02 -0.101431013207E-01 -0.104621039036E-01 -0.107910141428E-01
|
||
|
-0.111301315628E-01 -0.114797642009E-01 -0.118402288125E-01 -0.122118510790E-01 -0.125949658178E-01
|
||
|
-0.129899171941E-01 -0.133970589344E-01 -0.138167545422E-01 -0.142493775135E-01 -0.146953115548E-01
|
||
|
-0.151549508002E-01 -0.156287000297E-01 -0.161169748866E-01 -0.166202020944E-01 -0.171388196723E-01
|
||
|
-0.176732771497E-01 -0.182240357771E-01 -0.187915687350E-01 -0.193763613386E-01 -0.199789112387E-01
|
||
|
-0.205997286165E-01 -0.212393363729E-01 -0.218982703108E-01 -0.225770793088E-01 -0.232763254862E-01
|
||
|
-0.239965843577E-01 -0.247384449763E-01 -0.255025100629E-01 -0.262893961223E-01 -0.270997335427E-01
|
||
|
-0.279341666775E-01 -0.287933539078E-01 -0.296779676836E-01 -0.305886945415E-01 -0.315262350968E-01
|
||
|
-0.324913040074E-01 -0.334846299081E-01 -0.345069553108E-01 -0.355590364694E-01 -0.366416432056E-01
|
||
|
-0.377555586928E-01 -0.389015791940E-01 -0.400805137511E-01 -0.412931838208E-01 -0.425404228539E-01
|
||
|
-0.438230758126E-01 -0.451419986228E-01 -0.464980575546E-01 -0.478921285276E-01 -0.493250963351E-01
|
||
|
-0.507978537804E-01 -0.523113007211E-01 -0.538663430133E-01 -0.554638913504E-01 -0.571048599880E-01
|
||
|
-0.587901653490E-01 -0.605207245003E-01 -0.622974534923E-01 -0.641212655545E-01 -0.659930691362E-01
|
||
|
-0.679137657840E-01 -0.698842478467E-01 -0.719053959952E-01 -0.739780765502E-01 -0.761031386028E-01
|
||
|
-0.782814109192E-01 -0.805136986161E-01 -0.828007795949E-01 -0.851434007213E-01 -0.875422737376E-01
|
||
|
-0.899980708931E-01 -0.925114202796E-01 -0.950829008563E-01 -0.977130371502E-01 -0.100402293616E+00
|
||
|
-0.103151068639E+00 -0.105959688173E+00 -0.108828398980E+00 -0.111757361477E+00 -0.114746642159E+00
|
||
|
-0.117796205586E+00 -0.120905905923E+00 -0.124075478008E+00 -0.127304527941E+00 -0.130592523179E+00
|
||
|
-0.133938782115E+00 -0.137342463137E+00 -0.140802553147E+00 -0.144317855538E+00 -0.147886977609E+00
|
||
|
-0.151508317421E+00 -0.155180050076E+00 -0.158900113425E+00 -0.162666193204E+00 -0.166475707591E+00
|
||
|
-0.170325791202E+00 -0.174213278522E+00 -0.178134686795E+00 -0.182086198390E+00 -0.186063642658E+00
|
||
|
-0.190062477319E+00 -0.194077769411E+00 -0.198104175847E+00 -0.202135923623E+00 -0.206166789747E+00
|
||
|
-0.210190080950E+00 -0.214198613263E+00 -0.218184691544E+00 -0.222140089065E+00 -0.226056027267E+00
|
||
|
-0.229923155810E+00 -0.233731533074E+00 -0.237470607246E+00 -0.241129198201E+00 -0.244695480331E+00
|
||
|
-0.248156966576E+00 -0.251500493850E+00 -0.254712210142E+00 -0.257777563554E+00 -0.260681293573E+00
|
||
|
-0.263407424897E+00 -0.265939264163E+00 -0.268259399936E+00 -0.270349706363E+00 -0.272191350901E+00
|
||
|
-0.273764806568E+00 -0.275049869177E+00 -0.276025680054E+00 -0.276670754752E+00 -0.276963018297E+00
|
||
|
-0.276879847517E+00 -0.276398121050E+00 -0.275494277596E+00 -0.274144383030E+00 -0.272324206986E+00
|
||
|
-0.270009309515E+00 -0.267175138437E+00 -0.263797137973E+00 -0.259850869255E+00 -0.255312143255E+00
|
||
|
-0.250157166656E+00 -0.244362701152E+00 -0.237906236569E+00 -0.230766178181E+00 -0.222922048449E+00
|
||
|
-0.214354703372E+00 -0.205046563476E+00 -0.194981859353E+00 -0.184146891520E+00 -0.172530304167E+00
|
||
|
-0.160123372201E+00 -0.146920300761E+00 -0.132918536140E+00 -0.118119086798E+00 -0.102526852832E+00
|
||
|
-0.861509619817E-01 -0.690051098683E-01 -0.511079018304E-01 -0.324831933135E-01 -0.131604254299E-01
|
||
|
0.682504802632E-02 0.274316460644E-01 0.486112625698E-01 0.703089890741E-01 0.924628622800E-01
|
||
|
0.115003640387E+00 0.137854612449E+00 0.160931445555E+00 0.184142075583E+00 0.207386648679E+00
|
||
|
0.230557522056E+00 0.253539334048E+00 0.276209154072E+00 0.298436723117E+00 0.320084794295E+00
|
||
|
0.341009581117E+00 0.361061318916E+00 0.380084942859E+00 0.397920884852E+00 0.414405991068E+00
|
||
|
0.429374561526E+00 0.442659512535E+00 0.454093661625E+00 0.463511133081E+00 0.470748880302E+00
|
||
|
0.475648319395E+00 0.478057066418E+00 0.477830768827E+00 0.474835019552E+00 0.468947340026E+00
|
||
|
0.460059216100E+00 0.448078168329E+00 0.432929835457E+00 0.414560047226E+00 0.392936859829E+00
|
||
|
0.368052524597E+00 0.339925357871E+00 0.308601477641E+00 0.274156370659E+00 0.236696252383E+00
|
||
|
0.196359181696E+00 0.153315892702E+00 0.107770307224E+00 0.599596933763E-01 0.101544373445E-01
|
||
|
-0.413426035240E-01 -0.941971981632E-01 -0.148045320980E+00 -0.202495237704E+00 -0.257130100930E+00
|
||
|
-0.311511008726E+00 -0.365180399890E+00 -0.417665577732E+00 -0.468482143438E+00 -0.517137269946E+00
|
||
|
-0.563133075491E+00 -0.605970699653E+00 -0.645155680228E+00 -0.680204644041E+00 -0.710652572234E+00
|
||
|
-0.736059737850E+00 -0.756017900023E+00 -0.770155836150E+00 -0.778144423781E+00 -0.779701376761E+00
|
||
|
-0.774595602655E+00 -0.762651069674E+00 -0.743750052042E+00 -0.717835646194E+00 -0.684913494620E+00
|
||
|
-0.645052700874E+00 -0.598385958965E+00 -0.545108949470E+00 -0.485479072208E+00 -0.419813597282E+00
|
||
|
-0.348487321189E+00 -0.271929815573E+00 -0.190622354842E+00 -0.105094602790E+00 -0.159211316138E-01
|
||
|
0.762821626309E-01 0.170861694833E+00 0.267129833089E+00 0.364368517153E+00 0.461832832545E+00
|
||
|
0.558754530107E+00 0.654345491594E+00 0.747801151316E+00 0.838303896382E+00 0.925026477280E+00
|
||
|
0.100713547754E+01 0.108379490273E+01 0.115416996630E+01 0.121743116587E+01 0.127275875748E+01
|
||
|
0.131934774888E+01 0.135641354249E+01 0.138319836561E+01 0.139897863056E+01 0.140307336954E+01
|
||
|
0.139485389319E+01 0.137375482114E+01 0.133928663164E+01 0.129104986556E+01 0.122875109533E+01
|
||
|
0.115222072399E+01 0.106143261233E+01 0.956525439356E+00 0.837825589230E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
End of Dataset
|
||
|
PAW_PBE O 08Apr2002
|
||
|
6.00000000000000
|
||
|
parameters from PSCTR are:
|
||
|
VRHFIN =O: s2p4
|
||
|
LEXCH = PE
|
||
|
EATOM = 432.3788 eV, 31.7789 Ry
|
||
|
|
||
|
TITEL = PAW_PBE O 08Apr2002
|
||
|
LULTRA = F use ultrasoft PP ?
|
||
|
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
|
||
|
RPACOR = 1.200 partial core radius
|
||
|
POMASS = 16.000; ZVAL = 6.000 mass and valenz
|
||
|
RCORE = 1.520 outmost cutoff radius
|
||
|
RWIGS = 1.550; RWIGS = 0.820 wigner-seitz radius (au A)
|
||
|
ENMAX = 400.000; ENMIN = 300.000 eV
|
||
|
ICORE = 2 local potential
|
||
|
LCOR = T correct aug charges
|
||
|
LPAW = T paw PP
|
||
|
EAUG = 605.392
|
||
|
DEXC = 0.000
|
||
|
RMAX = 1.553 core radius for proj-oper
|
||
|
RAUG = 1.300 factor for augmentation sphere
|
||
|
RDEP = 1.550 radius for radial grids
|
||
|
RDEPT = 1.329 core radius for aug-charge
|
||
|
|
||
|
Atomic configuration
|
||
|
4 entries
|
||
|
n l j E occ.
|
||
|
1 0 0.50 -514.6923 2.0000
|
||
|
2 0 0.50 -23.9615 2.0000
|
||
|
2 1 0.50 -9.0305 4.0000
|
||
|
3 2 1.50 -9.5241 0.0000
|
||
|
Description
|
||
|
l E TYP RCUT TYP RCUT
|
||
|
0 -23.9615318 23 1.200
|
||
|
0 -9.5240782 23 1.200
|
||
|
1 -9.0304911 23 1.520
|
||
|
1 8.1634956 23 1.520
|
||
|
2 -9.5240782 7 1.500
|
||
|
Error from kinetic energy argument (eV)
|
||
|
NDATA = 100
|
||
|
STEP = 20.000 1.050
|
||
|
163. 160. 159. 156. 154. 151. 148. 146.
|
||
|
142. 139. 137. 134. 130. 126. 123. 119.
|
||
|
115. 111. 108. 102. 98.8 95.2 90.0 86.6
|
||
|
83.2 78.3 73.5 70.4 65.9 61.6 57.4 53.4
|
||
|
49.6 46.0 42.6 39.3 35.3 32.4 28.9 26.4
|
||
|
23.4 20.6 18.1 15.8 13.7 11.9 10.3 8.47
|
||
|
7.22 5.87 4.73 3.95 3.13 2.45 1.80 1.37
|
||
|
1.03 0.721 0.493 0.329 0.215 0.138 0.882E-01 0.534E-01
|
||
|
0.367E-01 0.267E-01 0.223E-01 0.205E-01 0.193E-01 0.181E-01 0.162E-01 0.138E-01
|
||
|
0.112E-01 0.878E-02 0.646E-02 0.490E-02 0.370E-02 0.300E-02 0.259E-02 0.238E-02
|
||
|
0.219E-02 0.196E-02 0.167E-02 0.132E-02 0.100E-02 0.764E-03 0.617E-03 0.544E-03
|
||
|
0.522E-03 0.507E-03 0.467E-03 0.403E-03 0.312E-03 0.236E-03 0.181E-03 0.157E-03
|
||
|
0.152E-03 0.150E-03 0.139E-03 0.118E-03
|
||
|
END of PSCTR-controll parameters
|
||
|
local part
|
||
|
122.832189257630
|
||
|
0.23159076E+02 0.23156323E+02 0.23152891E+02 0.23147171E+02 0.23139165E+02
|
||
|
0.23128873E+02 0.23116296E+02 0.23101432E+02 0.23084278E+02 0.23064830E+02
|
||
|
0.23043078E+02 0.23019012E+02 0.22992619E+02 0.22963881E+02 0.22932780E+02
|
||
|
0.22899292E+02 0.22863394E+02 0.22825057E+02 0.22784252E+02 0.22740947E+02
|
||
|
0.22695106E+02 0.22646690E+02 0.22595660E+02 0.22541970E+02 0.22485572E+02
|
||
|
0.22426415E+02 0.22364442E+02 0.22299595E+02 0.22231811E+02 0.22161023E+02
|
||
|
0.22087162E+02 0.22010155E+02 0.21929927E+02 0.21846399E+02 0.21759491E+02
|
||
|
0.21669120E+02 0.21575204E+02 0.21477655E+02 0.21376389E+02 0.21271317E+02
|
||
|
0.21162354E+02 0.21049412E+02 0.20932407E+02 0.20811254E+02 0.20685873E+02
|
||
|
0.20556184E+02 0.20422114E+02 0.20283592E+02 0.20140552E+02 0.19992934E+02
|
||
|
0.19840684E+02 0.19683757E+02 0.19522111E+02 0.19355716E+02 0.19184549E+02
|
||
|
0.19008597E+02 0.18827857E+02 0.18642337E+02 0.18452054E+02 0.18257039E+02
|
||
|
0.18057334E+02 0.17852993E+02 0.17644083E+02 0.17430684E+02 0.17212889E+02
|
||
|
0.16990805E+02 0.16764551E+02 0.16534262E+02 0.16300082E+02 0.16062173E+02
|
||
|
0.15820708E+02 0.15575872E+02 0.15327866E+02 0.15076899E+02 0.14823194E+02
|
||
|
0.14566987E+02 0.14308521E+02 0.14048052E+02 0.13785844E+02 0.13522170E+02
|
||
|
0.13257311E+02 0.12991555E+02 0.12725195E+02 0.12458529E+02 0.12191862E+02
|
||
|
0.11925499E+02 0.11659748E+02 0.11394918E+02 0.11131317E+02 0.10869254E+02
|
||
|
0.10609033E+02 0.10350957E+02 0.10095322E+02 0.98424191E+01 0.95925338E+01
|
||
|
0.93459424E+01 0.91029131E+01 0.88637039E+01 0.86285623E+01 0.83977240E+01
|
||
|
0.81714123E+01 0.79498370E+01 0.77331941E+01 0.75216648E+01 0.73154148E+01
|
||
|
0.71145940E+01 0.69193361E+01 0.67297579E+01 0.65459593E+01 0.63680230E+01
|
||
|
0.61960140E+01 0.60299801E+01 0.58699517E+01 0.57159415E+01 0.55679454E+01
|
||
|
0.54259421E+01 0.52898937E+01 0.51597461E+01 0.50354294E+01 0.49168586E+01
|
||
|
0.48039340E+01 0.46965419E+01 0.45945555E+01 0.44978356E+01 0.44062315E+01
|
||
|
0.43195814E+01 0.42377142E+01 0.41604497E+01 0.40875997E+01 0.40189692E+01
|
||
|
0.39543575E+01 0.38935589E+01 0.38363637E+01 0.37825597E+01 0.37319327E+01
|
||
|
0.36842680E+01 0.36393508E+01 0.35969678E+01 0.35569077E+01 0.35189623E+01
|
||
|
0.34829274E+01 0.34486035E+01 0.34157967E+01 0.33843192E+01 0.33539905E+01
|
||
|
0.33246375E+01 0.32960954E+01 0.32682079E+01 0.32408281E+01 0.32138185E+01
|
||
|
0.31870516E+01 0.31604100E+01 0.31337865E+01 0.31070846E+01 0.30802181E+01
|
||
|
0.30531115E+01 0.30256997E+01 0.29979279E+01 0.29697517E+01 0.29411363E+01
|
||
|
0.29120570E+01 0.28824981E+01 0.28524530E+01 0.28219238E+01 0.27909204E+01
|
||
|
0.27594606E+01 0.27275691E+01 0.26952771E+01 0.26626218E+01 0.26296457E+01
|
||
|
0.25963962E+01 0.25629247E+01 0.25292860E+01 0.24955381E+01 0.24617409E+01
|
||
|
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|
0.81750032E-01 0.81603798E-01 0.81454810E-01 0.81302863E-01 0.81147783E-01
|
||
|
0.80989434E-01 0.80827715E-01 0.80662565E-01 0.80493956E-01 0.80321902E-01
|
||
|
0.80146453E-01 0.79967695E-01 0.79785750E-01 0.79600776E-01 0.79412960E-01
|
||
|
0.79222523E-01 0.79029713E-01 0.78834802E-01 0.78638088E-01 0.78439887E-01
|
||
|
0.78240534E-01 0.78040377E-01 0.77839773E-01 0.77639090E-01 0.77438697E-01
|
||
|
0.77238964E-01 0.77040257E-01 0.76842936E-01 0.76647351E-01 0.76453836E-01
|
||
|
0.76262713E-01 0.76074279E-01 0.75888812E-01 0.75706566E-01 0.75527767E-01
|
||
|
0.75352611E-01 0.75181266E-01 0.75013866E-01 0.74850514E-01 0.74691276E-01
|
||
|
0.74536186E-01 0.74385241E-01 0.74238407E-01 0.74095612E-01 0.73956753E-01
|
||
|
0.73821695E-01 0.73690270E-01 0.73562286E-01 0.73437519E-01 0.73315724E-01
|
||
|
0.73196632E-01 0.73079954E-01 0.72965386E-01 0.72852607E-01 0.72741287E-01
|
||
|
0.72631089E-01 0.72521667E-01 0.72412679E-01 0.72303780E-01 0.72194632E-01
|
||
|
gradient corrections used for XC
|
||
|
5
|
||
|
core charge-density (partial)
|
||
|
0.26956851E-02 0.26948879E-02 0.26924976E-02 0.26885178E-02 0.26829551E-02
|
||
|
0.26758182E-02 0.26671185E-02 0.26568697E-02 0.26450880E-02 0.26317922E-02
|
||
|
0.26170031E-02 0.26007439E-02 0.25830402E-02 0.25639196E-02 0.25434119E-02
|
||
|
0.25215489E-02 0.24983643E-02 0.24738939E-02 0.24481750E-02 0.24212469E-02
|
||
|
0.23931503E-02 0.23639276E-02 0.23336224E-02 0.23022798E-02 0.22699462E-02
|
||
|
0.22366689E-02 0.22024963E-02 0.21674778E-02 0.21316636E-02 0.20951042E-02
|
||
|
0.20578513E-02 0.20199565E-02 0.19814721E-02 0.19424506E-02 0.19029443E-02
|
||
|
0.18630061E-02 0.18226882E-02 0.17820431E-02 0.17411227E-02 0.16999786E-02
|
||
|
0.16586620E-02 0.16172234E-02 0.15757125E-02 0.15341786E-02 0.14926697E-02
|
||
|
0.14512331E-02 0.14099150E-02 0.13687605E-02 0.13278136E-02 0.12871169E-02
|
||
|
0.12467118E-02 0.12066384E-02 0.11669351E-02 0.11276391E-02 0.10887861E-02
|
||
|
0.10504099E-02 0.10125431E-02 0.97521650E-03 0.93845915E-03 0.90229855E-03
|
||
|
0.86676047E-03 0.83186896E-03 0.79764634E-03 0.76411323E-03 0.73128851E-03
|
||
|
0.69918935E-03 0.66783118E-03 0.63722777E-03 0.60739118E-03 0.57833182E-03
|
||
|
0.55005845E-03 0.52257823E-03 0.49589673E-03 0.47001796E-03 0.44494445E-03
|
||
|
0.42067724E-03 0.39721593E-03 0.37455875E-03 0.35270258E-03 0.33164303E-03
|
||
|
0.31137445E-03 0.29189001E-03 0.27318174E-03 0.25524059E-03 0.23805651E-03
|
||
|
0.22161846E-03 0.20591448E-03 0.19093180E-03 0.17665682E-03 0.16307522E-03
|
||
|
0.15017201E-03 0.13793157E-03 0.12633773E-03 0.11537381E-03 0.10502268E-03
|
||
|
0.95266838E-04 0.86088431E-04 0.77469330E-04 0.69391177E-04 0.61835435E-04
|
||
|
0.54783440E-04 0.48216450E-04 0.42115690E-04 0.36462395E-04 0.31237860E-04
|
||
|
0.26423475E-04 0.22000766E-04 0.17951438E-04 0.14257401E-04 0.10900813E-04
|
||
|
0.78641060E-05 0.51300188E-05 0.26816223E-05 0.50234588E-06 -0.14239987E-05
|
||
|
-0.31131967E-05 -0.45806104E-05 -0.58411624E-05 -0.69093198E-05 -0.77990812E-05
|
||
|
-0.85239648E-05 -0.90969994E-05 -0.95307162E-05 -0.98371432E-05 -0.10027801E-04
|
||
|
-0.10113698E-04 -0.10105336E-04 -0.10012700E-04 -0.98452723E-05 -0.96120262E-05
|
||
|
-0.93214360E-05 -0.89814816E-05 -0.85996553E-05 -0.81829709E-05 -0.77379722E-05
|
||
|
-0.72707439E-05 -0.67869224E-05 -0.62917078E-05 -0.57898765E-05 -0.52857946E-05
|
||
|
-0.47834316E-05 -0.42863751E-05 -0.37978450E-05 -0.33207093E-05 -0.28574991E-05
|
||
|
-0.24104243E-05 -0.19813897E-05 -0.15720106E-05 -0.11836287E-05 -0.81732829E-06
|
||
|
-0.47395201E-06 -0.15411646E-06 0.14177213E-06 0.41350264E-06 0.66104393E-06
|
||
|
0.88453011E-06 0.10842461E-05 0.12606136E-05 0.14141774E-05 0.15455922E-05
|
||
|
0.16556097E-05 0.17450666E-05 0.18148726E-05 0.18659991E-05 0.18994686E-05
|
||
|
0.19163445E-05 0.19177212E-05 0.19047153E-05 0.18784569E-05 0.18400816E-05
|
||
|
0.17907231E-05 0.17315063E-05 0.16635410E-05 0.15879162E-05 0.15056946E-05
|
||
|
0.14179081E-05 0.13255534E-05 0.12295886E-05 0.11309293E-05 0.10304468E-05
|
||
|
0.92896462E-06 0.82725761E-06 0.72604987E-06 0.62601385E-06 0.52776961E-06
|
||
|
0.43188445E-06 0.33887283E-06 0.24919672E-06 0.16326606E-06 0.81439654E-07
|
||
|
0.40262264E-08 -0.68714308E-07 -0.13656933E-06 -0.19937183E-06 -0.25699859E-06
|
||
|
-0.30936819E-06 -0.35643889E-06 -0.39820647E-06 -0.43470186E-06 -0.46598888E-06
|
||
|
-0.49216175E-06 -0.51334268E-06 -0.52967942E-06 -0.54134281E-06 -0.54852426E-06
|
||
|
-0.55143342E-06 -0.55029570E-06 -0.54534999E-06 -0.53684633E-06 -0.52504370E-06
|
||
|
-0.51020789E-06 -0.49260943E-06 -0.47252162E-06 -0.45021864E-06 -0.42597380E-06
|
||
|
-0.40005786E-06 -0.37273747E-06 -0.34427373E-06 -0.31492086E-06 -0.28492498E-06
|
||
|
-0.25452299E-06 -0.22394162E-06 -0.19339654E-06 -0.16309161E-06 -0.13321823E-06
|
||
|
-0.10395482E-06 -0.75466363E-07 -0.47904135E-07 -0.21405430E-07 0.39065408E-08
|
||
|
0.27922686E-07 0.50547986E-07 0.71701356E-07 0.91315432E-07 0.10933629E-06
|
||
|
0.12572310E-06 0.14044769E-06 0.15349412E-06 0.16485813E-06 0.17454657E-06
|
||
|
0.18257685E-06 0.18897624E-06 0.19378124E-06 0.19703692E-06 0.19879615E-06
|
||
|
0.19911893E-06 0.19807167E-06 0.19572642E-06 0.19216018E-06 0.18745416E-06
|
||
|
0.18169308E-06 0.17496446E-06 0.16735793E-06 0.15896458E-06 0.14987633E-06
|
||
|
0.14018527E-06 0.12998312E-06 0.11936066E-06 0.10840718E-06 0.97210008E-07
|
||
|
0.85854060E-07 0.74421402E-07 0.62990870E-07 0.51637725E-07 0.40433344E-07
|
||
|
0.29444942E-07 0.18735345E-07 0.83627867E-08 -0.16192457E-08 -0.11162140E-07
|
||
|
-0.20222244E-07 -0.28760923E-07 -0.36744579E-07 -0.44144641E-07 -0.50937524E-07
|
||
|
-0.57104559E-07 -0.62631899E-07 -0.67510393E-07 -0.71735446E-07 -0.75306849E-07
|
||
|
-0.78228593E-07 -0.80508664E-07 -0.82158829E-07 -0.83194392E-07 -0.83633960E-07
|
||
|
-0.83499180E-07 -0.82814479E-07 -0.81606794E-07 -0.79905300E-07 -0.77741134E-07
|
||
|
-0.75147120E-07 -0.72157492E-07 -0.68807622E-07 -0.65133755E-07 -0.61172744E-07
|
||
|
-0.56961793E-07 -0.52538215E-07 -0.47939188E-07 -0.43201533E-07 -0.38361495E-07
|
||
|
-0.33454537E-07 -0.28515156E-07 -0.23576698E-07 -0.18671199E-07 -0.13829235E-07
|
||
|
-0.90797884E-08 -0.44501276E-08 0.34295102E-10 0.43499333E-08 0.84752195E-08
|
||
|
0.12390624E-07 0.16078698E-07 0.19524104E-07 0.22713630E-07 0.25636193E-07
|
||
|
0.28282824E-07 0.30646648E-07 0.32722846E-07 0.34508608E-07 0.36003075E-07
|
||
|
0.37207273E-07 0.38124034E-07 0.38757915E-07 0.39115100E-07 0.39203307E-07
|
||
|
0.39031681E-07 0.38610684E-07 0.37951983E-07 0.37068333E-07 0.35973454E-07
|
||
|
0.34681919E-07 0.33209022E-07 0.31570665E-07 0.29783232E-07 0.27863470E-07
|
||
|
0.25828376E-07 0.23695074E-07 0.21480712E-07 0.19202347E-07 0.16876847E-07
|
||
|
0.14520792E-07 0.12150375E-07 0.97813212E-08 0.74288040E-08 0.51073681E-08
|
||
|
0.28308617E-08 0.61237406E-09 -0.15358199E-08 -0.36023086E-08 -0.55765849E-08
|
||
|
-0.74490811E-08 -0.92111966E-08 -0.10855319E-07 -0.12374837E-07 -0.13764149E-07
|
||
|
-0.15018664E-07 -0.16134795E-07 -0.17109951E-07 -0.17942515E-07 -0.18631827E-07
|
||
|
-0.19178150E-07 -0.19582647E-07 -0.19847333E-07 -0.19975044E-07 -0.19969388E-07
|
||
|
-0.19834695E-07 -0.19575973E-07 -0.19198848E-07 -0.18709515E-07 -0.18114674E-07
|
||
|
-0.17421480E-07 -0.16637477E-07 -0.15770541E-07 -0.14828824E-07 -0.13820687E-07
|
||
|
-0.12754647E-07 -0.11639319E-07 -0.10483354E-07 -0.92953922E-08 -0.80840013E-08
|
||
|
-0.68576308E-08 -0.56245614E-08 -0.43928588E-08 -0.31703303E-08 -0.19644843E-08
|
||
|
-0.78249266E-09 0.36884322E-09 0.14831235E-08 0.25543773E-08 0.35770865E-08
|
||
|
0.45462067E-08 0.54571835E-08 0.63059662E-08 0.70890179E-08 0.78033217E-08
|
||
|
0.84463835E-08 0.90162322E-08 0.95114162E-08 0.99309965E-08 0.10274537E-07
|
||
|
0.10542094E-07 0.10734198E-07 0.10851840E-07 0.10896447E-07 0.10869866E-07
|
||
|
0.10774336E-07 0.10612464E-07 0.10387198E-07 0.10101796E-07 0.97598041E-08
|
||
|
0.93650167E-08 0.89214524E-08 0.84333197E-08 0.79049862E-08 0.73409466E-08
|
||
|
0.67457913E-08 0.61241749E-08 0.54807856E-08 0.48203154E-08 0.41474302E-08
|
||
|
0.34667422E-08 0.27827825E-08 0.20999751E-08 0.14226128E-08 0.75483407E-09
|
||
|
0.10060160E-09 -0.53631723E-09 -0.11523684E-08 -0.17442272E-08 -0.23088127E-08
|
||
|
-0.28432999E-08 -0.33451304E-08 -0.38120207E-08 -0.42419689E-08 -0.46332594E-08
|
||
|
-0.49844657E-08 -0.52944511E-08 -0.55623683E-08 -0.57876564E-08 -0.59700367E-08
|
||
|
-0.61095067E-08 -0.62063329E-08 -0.62610415E-08 -0.62744085E-08 -0.62474480E-08
|
||
|
-0.61813994E-08 -0.60777139E-08 -0.59380398E-08 -0.57642069E-08 -0.55582105E-08
|
||
|
-0.53221944E-08 -0.50584340E-08 -0.47693185E-08 -0.44573329E-08 -0.41250405E-08
|
||
|
-0.37750647E-08 -0.34100711E-08 -0.30327502E-08 -0.26457995E-08 -0.22519071E-08
|
||
|
-0.18537352E-08 -0.14539040E-08 -0.10549768E-08 -0.65944544E-09 -0.26971674E-09
|
||
|
0.11190021E-09 0.48320592E-09 0.84212128E-09 0.11866974E-08 0.15151245E-08
|
||
|
0.18257392E-08 0.21170316E-08 0.23876505E-08 0.26364079E-08 0.28622819E-08
|
||
|
0.30644194E-08 0.32421368E-08 0.33949200E-08 0.35224234E-08 0.36244681E-08
|
||
|
0.37010384E-08 0.37522781E-08 0.37784856E-08 0.37801086E-08 0.37577368E-08
|
||
|
0.37120957E-08 0.36440381E-08 0.35545359E-08 0.34446714E-08 0.33156275E-08
|
||
|
0.31686783E-08 0.30051785E-08 0.28265538E-08 0.26342896E-08 0.24299207E-08
|
||
|
0.22150207E-08 0.19911912E-08 0.17600511E-08 0.15232263E-08 0.12823394E-08
|
||
|
0.10390000E-08 0.79479449E-09 0.55127727E-09 0.30996168E-09 0.72311632E-10
|
||
|
-0.16026627E-09 -0.38643010E-09 -0.60490939E-09 -0.81451133E-09 -0.10141263E-08
|
||
|
-0.12027328E-08 -0.13794018E-08 -0.15433002E-08 -0.16936937E-08 -0.18299494E-08
|
||
|
-0.19515369E-08 -0.20580297E-08 -0.21491049E-08 -0.22245432E-08 -0.22842279E-08
|
||
|
-0.23281429E-08 -0.23563709E-08 -0.23690904E-08 -0.23665725E-08 -0.23491770E-08
|
||
|
-0.23173482E-08 -0.22716105E-08 -0.22125628E-08 -0.21408736E-08 -0.20572752E-08
|
||
|
-0.19625573E-08 -0.18575615E-08 -0.17431744E-08 -0.16203214E-08 -0.14899600E-08
|
||
|
-0.13530731E-08 -0.12106625E-08 -0.10637421E-08 -0.91333159E-09 -0.76044975E-09
|
||
|
-0.60610841E-09 -0.45130621E-09 -0.29702272E-09 -0.14421284E-09 0.61985696E-11
|
||
|
0.15332178E-09 0.29630692E-09 0.43434832E-09 0.56668859E-09 0.69262223E-09
|
||
|
0.81149885E-09 0.92272602E-09 0.10257717E-08 0.11201661E-08 0.12055035E-08
|
||
|
0.12814430E-08 0.13477098E-08 0.14040948E-08 0.14504550E-08 0.14867127E-08
|
||
|
0.15128548E-08 0.15289313E-08 0.15350539E-08 0.15313936E-08 0.15181788E-08
|
||
|
0.14956926E-08 0.14642694E-08 0.14242927E-08 0.13761907E-08 0.13204334E-08
|
||
|
0.12575285E-08 0.11880176E-08 0.11124721E-08 0.10314890E-08 0.94568677E-09
|
||
|
0.85570104E-09 0.76218029E-09 0.66578159E-09 0.56716641E-09 0.46699635E-09
|
||
|
0.36592913E-09 0.26461456E-09 0.16369071E-09 0.63780179E-10 -0.34513406E-10
|
||
|
-0.13060875E-09 -0.22395004E-09 -0.31400981E-09 -0.40029171E-09 -0.48233285E-09
|
||
|
-0.55970604E-09 -0.63202171E-09 -0.69892952E-09 -0.76011978E-09 -0.81532450E-09
|
||
|
-0.86431826E-09 -0.90691870E-09 -0.94298682E-09 -0.97242696E-09 -0.99518653E-09
|
||
|
-0.10112555E-08 -0.10206655E-08 -0.10234889E-08 -0.10198378E-08 -0.10098620E-08
|
||
|
-0.99374760E-09 -0.97171544E-09 -0.94401857E-09 -0.91094032E-09 -0.87279186E-09
|
||
|
-0.82990981E-09 -0.78265359E-09 -0.73140280E-09 -0.67655446E-09 -0.61852021E-09
|
||
|
-0.55772353E-09 -0.49459684E-09 -0.42957868E-09 -0.36311088E-09 -0.29563578E-09
|
||
|
-0.22759347E-09 -0.15941912E-09 -0.91540379E-10 -0.24374909E-10 0.41672043E-10
|
||
|
0.10620989E-09 0.16886483E-09 0.22928187E-09 0.28712661E-09 0.34208696E-09
|
||
|
0.39387462E-09 0.44222643E-09 0.48690549E-09 0.52770215E-09 0.56443481E-09
|
||
|
0.59695046E-09 0.62512514E-09 0.64886412E-09 0.66810198E-09 0.68280242E-09
|
||
|
0.69295797E-09 0.69858952E-09 0.69974559E-09 0.69650159E-09 0.68895883E-09
|
||
|
0.67724340E-09 0.66150496E-09 0.64191535E-09 0.61866715E-09 0.59197209E-09
|
||
|
0.56205941E-09 0.52917408E-09 0.49357506E-09 0.45553340E-09 0.41533037E-09
|
||
|
0.37325551E-09 0.32960471E-09 0.28467830E-09 0.23877904E-09 0.19221027E-09
|
||
|
0.14527401E-09 0.98269090E-10 0.51489414E-10 0.52221955E-11 -0.40253680E-10
|
||
|
-0.84669230E-10 -0.12776686E-09 -0.16930174E-09 -0.20904311E-09 -0.24677542E-09
|
||
|
-0.28229942E-09 -0.31543307E-09 -0.34601241E-09 -0.37389217E-09 -0.39894643E-09
|
||
|
-0.42106896E-09 -0.44017359E-09 -0.45619440E-09 -0.46908570E-09 -0.47882202E-09
|
||
|
-0.48539788E-09 -0.48882748E-09 -0.48914430E-09 -0.48640049E-09 -0.48066626E-09
|
||
|
-0.47202916E-09 -0.46059318E-09 -0.44647785E-09 -0.42981725E-09 -0.41075890E-09
|
||
|
-0.38946263E-09 -0.36609939E-09 -0.34084996E-09 -0.31390374E-09 -0.28545737E-09
|
||
|
-0.25571340E-09 -0.22487897E-09 -0.19316443E-09 -0.16078199E-09 -0.12794436E-09
|
||
|
-0.94863484E-10 -0.61749180E-10 -0.28807920E-10 0.37583950E-11 0.35753608E-10
|
||
|
0.66988414E-10 0.97281416E-10 0.12646011E-09 0.15436179E-09 0.18083442E-09
|
||
|
0.20573732E-09 0.22894195E-09 0.25033240E-09 0.26980594E-09 0.28727344E-09
|
||
|
0.30265967E-09 0.31590354E-09 0.32695826E-09 0.33579134E-09 0.34238463E-09
|
||
|
0.34673411E-09 0.34884976E-09 0.34875519E-09 0.34648733E-09 0.34209596E-09
|
||
|
0.33564318E-09 0.32720284E-09 0.31685988E-09 0.30470964E-09 0.29085708E-09
|
||
|
0.27541600E-09 0.25850815E-09 0.24026241E-09 0.22081383E-09 0.20030272E-09
|
||
|
0.17887369E-09 0.15667468E-09 0.13385602E-09 0.11056943E-09 0.86967102E-10
|
||
|
0.63200706E-10 0.39420500E-10 0.15774409E-10 -0.75928455E-11 -0.30540588E-10
|
||
|
-0.52932990E-10 -0.74639834E-10 -0.95537223E-10 -0.11550825E-09 -0.13444359E-09
|
||
|
-0.15224208E-09 -0.16881120E-09 -0.18406749E-09 -0.19793697E-09 -0.21035537E-09
|
||
|
-0.22126845E-09 -0.23063213E-09 -0.23841261E-09 -0.24458642E-09 -0.24914042E-09
|
||
|
-0.25207166E-09 -0.25338733E-09 -0.25310446E-09 -0.25124973E-09 -0.24785913E-09
|
||
|
-0.24297759E-09 -0.23665855E-09 -0.22896355E-09 -0.21996165E-09 -0.20972896E-09
|
||
|
-0.19834799E-09 -0.18590711E-09 -0.17249986E-09 -0.15822434E-09 -0.14318250E-09
|
||
|
-0.12747944E-09 -0.11122277E-09 -0.94521848E-10 -0.77487123E-10 -0.60229406E-10
|
||
|
-0.42859194E-10 -0.25485995E-10 -0.82176645E-11 0.88402350E-11 0.25585048E-10
|
||
|
0.41917617E-10 0.57742838E-10 0.72970188E-10 0.87514213E-10 0.10129498E-09
|
||
|
0.11423848E-09 0.12627700E-09 0.13734945E-09 0.14740163E-09 0.15638647E-09
|
||
|
0.16426420E-09 0.17100250E-09 0.17657659E-09 0.18096924E-09 0.18417081E-09
|
||
|
0.18617915E-09 0.18699952E-09 0.18664448E-09 0.18513364E-09 0.18249347E-09
|
||
|
0.17875707E-09 0.17396378E-09 0.16815892E-09 0.16139340E-09 0.15372331E-09
|
||
|
0.14520951E-09 0.13591718E-09 0.12591537E-09 0.11527650E-09 0.10407585E-09
|
||
|
0.92391088E-10 0.80301741E-10 0.67888669E-10 0.55233560E-10 0.42418406E-10
|
||
|
0.29524994E-10 0.16634409E-10 0.38265403E-11 -0.88203924E-11 -0.21230298E-10
|
||
|
-0.33329650E-10 -0.45047906E-10 -0.56317898E-10 -0.67076196E-10 -0.77263447E-10
|
||
|
-0.86824685E-10 -0.95709600E-10 -0.10387279E-09 -0.11127396E-09 -0.11787810E-09
|
||
|
-0.12365565E-09 -0.12858255E-09 -0.13264036E-09 -0.13581628E-09 -0.13810314E-09
|
||
|
-0.13949935E-09 -0.14000889E-09 -0.13964112E-09 -0.13841072E-09 -0.13633749E-09
|
||
|
-0.13344614E-09 -0.12976613E-09 -0.12533134E-09 -0.12017986E-09 -0.11435366E-09
|
||
|
-0.10789832E-09 -0.10086264E-09 -0.93298335E-10 -0.85259668E-10 -0.76803070E-10
|
||
|
-0.67986770E-10 -0.58870408E-10 -0.49514648E-10 -0.39980790E-10 -0.30330383E-10
|
||
|
-0.20624842E-10 -0.10925071E-10 -0.12910964E-11 0.82182941E-11 0.17545894E-10
|
||
|
0.26636410E-10 0.35436776E-10 0.43896450E-10 0.51967692E-10 0.59605816E-10
|
||
|
0.66769429E-10 0.73420634E-10 0.79525223E-10 0.85052833E-10 0.89977082E-10
|
||
|
0.94275675E-10 0.97930489E-10 0.10092763E-09 0.10325744E-09 0.10491454E-09
|
||
|
0.10589778E-09 0.10621016E-09 0.10585882E-09 0.10485488E-09 0.10321336E-09
|
||
|
0.10095301E-09 0.98096159E-10 0.94668503E-10 0.90698935E-10 0.86219307E-10
|
||
|
0.81264192E-10 0.75870640E-10 0.70077914E-10 0.63927218E-10 0.57461418E-10
|
||
|
0.50724756E-10 0.43762557E-10 0.36620936E-10 0.29346505E-10 0.21986076E-10
|
||
|
0.14586372E-10 0.71937408E-11 -0.14612934E-12 -0.73884789E-11 -0.14489742E-10
|
||
|
-0.21407800E-10 -0.28102221E-10 -0.34534487E-10 -0.40668206E-10 -0.46469308E-10
|
||
|
-0.51906227E-10 -0.56950059E-10 -0.61574707E-10 -0.65757007E-10 -0.69476828E-10
|
||
|
-0.72717160E-10 -0.75464178E-10 -0.77707282E-10 -0.79439127E-10 -0.80655618E-10
|
||
|
-0.81355900E-10 -0.81542315E-10 -0.81220352E-10 -0.80398568E-10 -0.79088499E-10
|
||
|
-0.77304545E-10 -0.75063851E-10 -0.72386161E-10 -0.69293665E-10 -0.65810830E-10
|
||
|
-0.61964221E-10 -0.57782307E-10 -0.53295266E-10 -0.48534773E-10 -0.43533788E-10
|
||
|
-0.38326335E-10 -0.32947280E-10 -0.27432104E-10 -0.21816677E-10 -0.16137033E-10
|
||
|
-0.10429142E-10 -0.47286959E-11 0.92911439E-12 0.65098064E-11 0.11979810E-10
|
||
|
0.17306664E-10 0.22459200E-10 0.27407719E-10 0.32124159E-10 0.36582242E-10
|
||
|
0.40757616E-10 0.44627983E-10 0.48173207E-10 0.51375414E-10 0.54219069E-10
|
||
|
0.56691051E-10 0.58780693E-10 0.60479828E-10 0.61782797E-10 0.62686464E-10
|
||
|
0.63190192E-10 0.63295828E-10 0.63007651E-10 0.62332319E-10 0.61278801E-10
|
||
|
0.59858287E-10 0.58084100E-10 0.55971578E-10 0.53537961E-10 0.50802260E-10
|
||
|
0.47785118E-10 0.44508660E-10 0.40996341E-10 0.37272787E-10 0.33363624E-10
|
||
|
0.29295311E-10 0.25094965E-10 0.20790190E-10 0.16408894E-10 0.11979119E-10
|
||
|
0.75288631E-11 0.30859122E-11 -0.13223326E-11 -0.56690173E-11 -0.99279937E-11
|
||
|
-0.14073973E-10 -0.18082669E-10 -0.21930939E-10 -0.25596911E-10 -0.29060100E-10
|
||
|
-0.32301523E-10 -0.35303796E-10 -0.38051217E-10 -0.40529851E-10 -0.42727588E-10
|
||
|
-0.44634198E-10 -0.46241372E-10 -0.47542749E-10 -0.48533931E-10 -0.49212492E-10
|
||
|
kinetic energy density (partial)
|
||
|
0.17290945E+01 0.17285841E+01 0.17270538E+01 0.17245059E+01 0.17209446E+01
|
||
|
0.17163755E+01 0.17108057E+01 0.17042442E+01 0.16967013E+01 0.16881888E+01
|
||
|
0.16787202E+01 0.16683103E+01 0.16569753E+01 0.16447329E+01 0.16316023E+01
|
||
|
0.16176036E+01 0.16027584E+01 0.15870895E+01 0.15706209E+01 0.15533776E+01
|
||
|
0.15353856E+01 0.15166720E+01 0.14972647E+01 0.14771925E+01 0.14564850E+01
|
||
|
0.14351725E+01 0.14132859E+01 0.13908568E+01 0.13679172E+01 0.13444995E+01
|
||
|
0.13206367E+01 0.12963618E+01 0.12717083E+01 0.12467096E+01 0.12213994E+01
|
||
|
0.11958113E+01 0.11699789E+01 0.11439355E+01 0.11177147E+01 0.10913492E+01
|
||
|
0.10648719E+01 0.10383150E+01 0.10117105E+01 0.98508985E+00 0.95848380E+00
|
||
|
0.93192264E+00 0.90543598E+00 0.87905269E+00 0.85280094E+00 0.82670808E+00
|
||
|
0.80080062E+00 0.77510421E+00 0.74964360E+00 0.72444257E+00 0.69952396E+00
|
||
|
0.67490961E+00 0.65062032E+00 0.62667587E+00 0.60309497E+00 0.57989526E+00
|
||
|
0.55709331E+00 0.53470458E+00 0.51274343E+00 0.49122312E+00 0.47015583E+00
|
||
|
0.44955260E+00 0.42942340E+00 0.40977711E+00 0.39062154E+00 0.37196342E+00
|
||
|
0.35380843E+00 0.33616124E+00 0.31902548E+00 0.30240381E+00 0.28629791E+00
|
||
|
0.27070852E+00 0.25563546E+00 0.24107766E+00 0.22703319E+00 0.21349931E+00
|
||
|
0.20047246E+00 0.18794833E+00 0.17592189E+00 0.16438738E+00 0.15333844E+00
|
||
|
0.14276803E+00 0.13266856E+00 0.12303189E+00 0.11384935E+00 0.10511182E+00
|
||
|
0.96809732E-01 0.88933116E-01 0.81471646E-01 0.74414669E-01 0.67751243E-01
|
||
|
0.61470175E-01 0.55560051E-01 0.50009275E-01 0.44806100E-01 0.39938664E-01
|
||
|
0.35395019E-01 0.31163163E-01 0.27231070E-01 0.23586720E-01 0.20218126E-01
|
||
|
0.17113360E-01 0.14260579E-01 0.11648050E-01 0.92641732E-02 0.70975013E-02
|
||
|
0.51367625E-02 0.33708785E-02 0.17889825E-02 0.38043563E-03 -0.86515782E-03
|
||
|
-0.19579367E-02 -0.29077704E-02 -0.37242477E-02 -0.44166664E-02 -0.49940254E-02
|
||
|
-0.54650164E-02 -0.58380181E-02 -0.61210912E-02 -0.63219740E-02 -0.64480800E-02
|
||
|
-0.65064958E-02 -0.65039806E-02 -0.64469664E-02 -0.63415589E-02 -0.61935402E-02
|
||
|
-0.60083709E-02 -0.57911949E-02 -0.55468428E-02 -0.52798380E-02 -0.49944022E-02
|
||
|
-0.46944620E-02 -0.43836558E-02 -0.40653416E-02 -0.37426050E-02 -0.34182677E-02
|
||
|
-0.30948962E-02 -0.27748111E-02 -0.24600964E-02 -0.21526095E-02 -0.18539907E-02
|
||
|
-0.15656736E-02 -0.12888947E-02 -0.10247041E-02 -0.77397550E-03 -0.53741650E-03
|
||
|
-0.31557862E-03 -0.10886752E-03 0.82447043E-04 0.25822137E-03 0.41842813E-03
|
||
|
0.56314687E-03 0.69255474E-03 0.80691741E-03 0.90658036E-03 0.99196028E-03
|
||
|
0.10635369E-02 0.11218452E-02 0.11674673E-02 0.12010261E-02 0.12231773E-02
|
||
|
0.12346038E-02 0.12360086E-02 0.12281095E-02 0.12116334E-02 0.11873111E-02
|
||
|
0.11558726E-02 0.11180424E-02 0.10745357E-02 0.10260544E-02 0.97328406E-03
|
||
|
0.91689032E-03 0.85751654E-03 0.79578123E-03 0.73227598E-03 0.66756361E-03
|
||
|
0.60217667E-03 0.53661621E-03 0.47135077E-03 0.40681566E-03 0.34341249E-03
|
||
|
0.28150893E-03 0.22143862E-03 0.16350134E-03 0.10796340E-03 0.55058077E-04
|
||
|
0.49863744E-05 -0.42082215E-04 -0.86008735E-04 -0.12668369E-03 -0.16402589E-03
|
||
|
-0.19798115E-03 -0.22852096E-03 -0.25564108E-03 -0.27936004E-03 -0.29971764E-03
|
||
|
-0.31677343E-03 -0.33060506E-03 -0.34130679E-03 -0.34898784E-03 -0.35377084E-03
|
||
|
-0.35579025E-03 -0.35519081E-03 -0.35212606E-03 -0.34675681E-03 -0.33924978E-03
|
||
|
-0.32977611E-03 -0.31851015E-03 -0.30562807E-03 -0.29130672E-03 -0.27572246E-03
|
||
|
-0.25905007E-03 -0.24146177E-03 -0.22312623E-03 -0.20420776E-03 -0.18486548E-03
|
||
|
-0.16525264E-03 -0.14551595E-03 -0.12579501E-03 -0.10622186E-03 -0.86920500E-04
|
||
|
-0.68006593E-04 -0.49587153E-04 -0.31760344E-04 -0.14615332E-04 0.17678089E-05
|
||
|
0.17318114E-04 0.31973702E-04 0.45681696E-04 0.58398081E-04 0.70087534E-04
|
||
|
0.80723191E-04 0.90286392E-04 0.98766377E-04 0.10615995E-03 0.11247114E-03
|
||
|
0.11771077E-03 0.12189609E-03 0.12505034E-03 0.12720230E-03 0.12838584E-03
|
||
|
0.12863943E-03 0.12800575E-03 0.12653111E-03 0.12426509E-03 0.12125998E-03
|
||
|
0.11757039E-03 0.11325275E-03 0.10836489E-03 0.10296562E-03 0.97114283E-04
|
||
|
0.90870380E-04 0.84293186E-04 0.77441386E-04 0.70372734E-04 0.63143731E-04
|
||
|
0.55809335E-04 0.48422678E-04 0.41034823E-04 0.33694534E-04 0.26448077E-04
|
||
|
0.19339039E-04 0.12408178E-04 0.56932949E-05 -0.77087546E-06 -0.69527418E-05
|
||
|
-0.12823917E-04 -0.18359254E-04 -0.23536861E-04 -0.28338097E-04 -0.32747544E-04
|
||
|
-0.36752966E-04 -0.40345248E-04 -0.43518314E-04 -0.46269040E-04 -0.48597144E-04
|
||
|
-0.50505065E-04 -0.51997834E-04 -0.53082933E-04 -0.53770142E-04 -0.54071382E-04
|
||
|
-0.54000551E-04 -0.53573354E-04 -0.52807130E-04 -0.51720672E-04 -0.50334054E-04
|
||
|
-0.48668448E-04 -0.46745951E-04 -0.44589403E-04 -0.42222219E-04 -0.39668216E-04
|
||
|
-0.36951446E-04 -0.34096041E-04 -0.31126054E-04 -0.28065313E-04 -0.24937283E-04
|
||
|
-0.21764930E-04 -0.18570599E-04 -0.15375898E-04 -0.12201594E-04 -0.90675122E-05
|
||
|
-0.59924521E-05 -0.29941086E-05 -0.89004708E-07 0.27075669E-05 0.53815916E-05
|
||
|
0.79203713E-05 0.10312553E-04 0.12548149E-04 0.14618547E-04 0.16516511E-04
|
||
|
0.18236175E-04 0.19773027E-04 0.21123889E-04 0.22286883E-04 0.23261395E-04
|
||
|
0.24048036E-04 0.24648585E-04 0.25065940E-04 0.25304059E-04 0.25367891E-04
|
||
|
0.25263316E-04 0.24997066E-04 0.24576658E-04 0.24010318E-04 0.23306901E-04
|
||
|
0.22475813E-04 0.21526935E-04 0.20470544E-04 0.19317232E-04 0.18077830E-04
|
||
|
0.16763333E-04 0.15384825E-04 0.13953405E-04 0.12480118E-04 0.10975890E-04
|
||
|
0.94514623E-05 0.79173292E-05 0.63836844E-05 0.48603660E-05 0.33568078E-05
|
||
|
0.18819945E-05 0.44442122E-06 -0.94794305E-06 -0.22876867E-05 -0.35679827E-05
|
||
|
-0.47826115E-05 -0.59259791E-05 -0.69931304E-05 -0.79797590E-05 -0.88822118E-05
|
||
|
-0.96974899E-05 -0.10423246E-04 -0.11057775E-04 -0.11600007E-04 -0.12049490E-04
|
||
|
-0.12406372E-04 -0.12671383E-04 -0.12845808E-04 -0.12931464E-04 -0.12930666E-04
|
||
|
-0.12846204E-04 -0.12681303E-04 -0.12439594E-04 -0.12125074E-04 -0.11742072E-04
|
||
|
-0.11295210E-04 -0.10789365E-04 -0.10229634E-04 -0.96212866E-05 -0.89697364E-05
|
||
|
-0.82804965E-05 -0.75591441E-05 -0.68112837E-05 -0.60425111E-05 -0.52583789E-05
|
||
|
-0.44643633E-05 -0.36658324E-05 -0.28680161E-05 -0.20759781E-05 -0.12945892E-05
|
||
|
-0.52850323E-06 0.21786533E-06 0.94036142E-06 0.16351073E-05 0.22985180E-05
|
||
|
0.29273150E-05 0.35185369E-05 0.40695486E-05 0.45780474E-05 0.50420674E-05
|
||
|
0.54599817E-05 0.58305021E-05 0.61526771E-05 0.64258876E-05 0.66498407E-05
|
||
|
0.68245623E-05 0.69503868E-05 0.70279463E-05 0.70581577E-05 0.70422087E-05
|
||
|
0.69815423E-05 0.68778402E-05 0.67330060E-05 0.65491459E-05 0.63285507E-05
|
||
|
0.60736753E-05 0.57871193E-05 0.54716065E-05 0.51299641E-05 0.47651028E-05
|
||
|
0.43799954E-05 0.39776574E-05 0.35611266E-05 0.31334436E-05 0.26976331E-05
|
||
|
0.22566851E-05 0.18135380E-05 0.13710609E-05 0.93203865E-06 0.49915625E-06
|
||
|
0.74985325E-07 -0.33802878E-06 -0.73757865E-06 -0.11215053E-05 -0.14878073E-05
|
||
|
-0.18346492E-05 -0.21603680E-05 -0.24634786E-05 -0.27426786E-05 -0.29968511E-05
|
||
|
-0.32250662E-05 -0.34265825E-05 -0.36008456E-05 -0.37474871E-05 -0.38663216E-05
|
||
|
-0.39573430E-05 -0.40207195E-05 -0.40567879E-05 -0.40660473E-05 -0.40491511E-05
|
||
|
-0.40068991E-05 -0.39402288E-05 -0.38502054E-05 -0.37380125E-05 -0.36049409E-05
|
||
|
-0.34523780E-05 -0.32817970E-05 -0.30947450E-05 -0.28928317E-05 -0.26777177E-05
|
||
|
-0.24511028E-05 -0.22147146E-05 -0.19702971E-05 -0.17195990E-05 -0.14643635E-05
|
||
|
-0.12063167E-05 -0.94715827E-06 -0.68855088E-06 -0.43211123E-06 -0.17940104E-06
|
||
|
0.68081116E-07 0.30890758E-06 0.54172860E-06 0.76527871E-06 0.97838245E-06
|
||
|
0.11799594E-05 0.13690283E-05 0.15447109E-05 0.17062346E-05 0.18529347E-05
|
||
|
0.19842557E-05 0.20997520E-05 0.21990881E-05 0.22820378E-05 0.23484827E-05
|
||
|
0.23984106E-05 0.24319128E-05 0.24491808E-05 0.24505029E-05 0.24362600E-05
|
||
|
0.24069207E-05 0.23630364E-05 0.23052360E-05 0.22342201E-05 0.21507544E-05
|
||
|
0.20556642E-05 0.19498271E-05 0.18341667E-05 0.17096457E-05 0.15772589E-05
|
||
|
0.14380262E-05 0.12929862E-05 0.11431884E-05 0.98968723E-06 0.83353514E-06
|
||
|
0.67577604E-06 0.51743909E-06 0.35953275E-06 0.20303893E-06 0.48907611E-07
|
||
|
-0.10194834E-06 -0.24865792E-06 -0.39039639E-06 -0.52638931E-06 -0.65591616E-06
|
||
|
-0.77831353E-06 -0.89297790E-06 -0.99936796E-06 -0.10970065E-05 -0.11854821E-05
|
||
|
-0.12644496E-05 -0.13336314E-05 -0.13928171E-05 -0.14418636E-05 -0.14806940E-05
|
||
|
-0.15092972E-05 -0.15277257E-05 -0.15360945E-05 -0.15345786E-05 -0.15234106E-05
|
||
|
-0.15028780E-05 -0.14733201E-05 -0.14351249E-05 -0.13887253E-05 -0.13345958E-05
|
||
|
-0.12732482E-05 -0.12052279E-05 -0.11311098E-05 -0.10514937E-05 -0.96700051E-06
|
||
|
-0.87826762E-06 -0.78594470E-06 -0.69068939E-06 -0.59316308E-06 -0.49402668E-06
|
||
|
-0.39393660E-06 -0.29354074E-06 -0.19347471E-06 -0.94358142E-07 0.32087999E-08
|
||
|
0.98648681E-07 0.19140989E-06 0.28096947E-06 0.36683575E-06 0.44855070E-06
|
||
|
0.52569203E-06 0.59787503E-06 0.66475412E-06 0.72602419E-06 0.78142156E-06
|
||
|
0.83072474E-06 0.87375493E-06 0.91037615E-06 0.94049521E-06 0.96406135E-06
|
||
|
0.98106565E-06 0.99154022E-06 0.99555710E-06 0.99322697E-06 0.98469768E-06
|
||
|
0.97015251E-06 0.94980830E-06 0.92391344E-06 0.89274560E-06 0.85660946E-06
|
||
|
0.81583425E-06 0.77077117E-06 0.72179077E-06 0.66928031E-06 0.61364093E-06
|
||
|
0.55528494E-06 0.49463302E-06 0.43211147E-06 0.36814942E-06 0.30317614E-06
|
||
|
0.23761838E-06 0.17189779E-06 0.10642840E-06 0.41614252E-07 -0.22152940E-07
|
||
|
-0.84495926E-07 -0.14505397E-06 -0.20348474E-06 -0.25946606E-06 -0.31269748E-06
|
||
|
-0.36290169E-06 -0.40982579E-06 -0.45324233E-06 -0.49295024E-06 -0.52877551E-06
|
||
|
-0.56057173E-06 -0.58822046E-06 -0.61163137E-06 -0.63074227E-06 -0.64551892E-06
|
||
|
-0.65595468E-06 -0.66207001E-06 -0.66391180E-06 -0.66155257E-06 -0.65508948E-06
|
||
|
-0.64464331E-06 -0.63035716E-06 -0.61239522E-06 -0.59094126E-06 -0.56619716E-06
|
||
|
-0.53838129E-06 -0.50772685E-06 -0.47448011E-06 -0.43889869E-06 -0.40124968E-06
|
||
|
-0.36180785E-06 -0.32085380E-06 -0.27867210E-06 -0.23554945E-06 -0.19177290E-06
|
||
|
-0.14762803E-06 -0.10339723E-06 -0.59358035E-07 -0.15781477E-07 0.27069454E-07
|
||
|
0.68941283E-07 0.10959143E-06 0.14878951E-06 0.18631852E-06 0.22197590E-06
|
||
|
0.25557458E-06 0.28694375E-06 0.31592969E-06 0.34239634E-06 0.36622584E-06
|
||
|
0.38731891E-06 0.40559510E-06 0.42099294E-06 0.43346998E-06 0.44300268E-06
|
||
|
0.44958621E-06 0.45323413E-06 0.45397795E-06 0.45186662E-06 0.44696592E-06
|
||
|
0.43935768E-06 0.42913907E-06 0.41642161E-06 0.40133032E-06 0.38400262E-06
|
||
|
0.36458730E-06 0.34324338E-06 0.32013892E-06 0.29544987E-06 0.26935876E-06
|
||
|
0.24205353E-06 0.21372623E-06 0.18457177E-06 0.15478664E-06 0.12456772E-06
|
||
|
0.94111017E-07 0.63610470E-07 0.33256812E-07 0.32364356E-08 -0.26269679E-07
|
||
|
-0.55086980E-07 -0.83048311E-07 -0.10999481E-06 -0.13577673E-06 -0.16025422E-06
|
||
|
-0.18329801E-06 -0.20479000E-06 -0.22462382E-06 -0.24270524E-06 -0.25895259E-06
|
||
|
-0.27329699E-06 -0.28568257E-06 -0.29606660E-06 -0.30441950E-06 -0.31072480E-06
|
||
|
-0.31497903E-06 -0.31719146E-06 -0.31738388E-06 -0.31559021E-06 -0.31185610E-06
|
||
|
-0.30623842E-06 -0.29880474E-06 -0.28963270E-06 -0.27880938E-06 -0.26643058E-06
|
||
|
-0.25260010E-06 -0.23742893E-06 -0.22103446E-06 -0.20353965E-06 -0.18507217E-06
|
||
|
-0.16576352E-06 -0.14574817E-06 -0.12516265E-06 -0.10414472E-06 -0.82832453E-07
|
||
|
-0.61363399E-07 -0.39873743E-07 -0.18497485E-07 0.26343491E-08 0.23394466E-07
|
||
|
0.43660027E-07 0.63313332E-07 0.82242455E-07 0.10034184E-06 0.11751286E-06
|
||
|
0.13366427E-06 0.14871269E-06 0.16258297E-06 0.17520849E-06 0.18653148E-06
|
||
|
0.19650319E-06 0.20508406E-06 0.21224378E-06 0.21796138E-06 0.22222513E-06
|
||
|
0.22503254E-06 0.22639016E-06 0.22631341E-06 0.22482634E-06 0.22196135E-06
|
||
|
0.21775882E-06 0.21226678E-06 0.20554044E-06 0.19764175E-06 0.18863890E-06
|
||
|
0.17860583E-06 0.16762163E-06 0.15577001E-06 0.14313867E-06 0.12981872E-06
|
||
|
0.11590408E-06 0.10149079E-06 0.86676465E-07 0.71559597E-07 0.56238975E-07
|
||
|
0.40813056E-07 0.25379365E-07 0.10033908E-07 -0.51293959E-08 -0.20019260E-07
|
||
|
-0.34547551E-07 -0.48629785E-07 -0.62185585E-07 -0.75139115E-07 -0.87419477E-07
|
||
|
-0.98961065E-07 -0.10970389E-06 -0.11959386E-06 -0.12858301E-06 -0.13662972E-06
|
||
|
-0.14369885E-06 -0.14976189E-06 -0.15479699E-06 -0.15878899E-06 -0.16172945E-06
|
||
|
-0.16361657E-06 -0.16445508E-06 -0.16425614E-06 -0.16303716E-06 -0.16082158E-06
|
||
|
-0.15763866E-06 -0.15352316E-06 -0.14851511E-06 -0.14265942E-06 -0.13600555E-06
|
||
|
-0.12860714E-06 -0.12052161E-06 -0.11180973E-06 -0.10253523E-06 -0.92764326E-07
|
||
|
-0.82565291E-07 -0.72007998E-07 -0.61163465E-07 -0.50103397E-07 -0.38899736E-07
|
||
|
-0.27624215E-07 -0.16347912E-07 -0.51408281E-08 0.59285300E-08 0.16793551E-07
|
||
|
0.27389898E-07 0.37655876E-07 0.47532767E-07 0.56965148E-07 0.65901187E-07
|
||
|
0.74292904E-07 0.82096410E-07 0.89272116E-07 0.95784914E-07 0.10160432E-06
|
||
|
0.10670461E-06 0.11106488E-06 0.11466912E-06 0.11750624E-06 0.11957006E-06
|
||
|
0.12085928E-06 0.12137740E-06 0.12113265E-06 0.12013786E-06 0.11841029E-06
|
||
|
0.11597150E-06 0.11284710E-06 0.10906660E-06 0.10466311E-06 0.99673114E-07
|
||
|
0.94136174E-07 0.88094665E-07 0.81593458E-07 0.74679606E-07 0.67402029E-07
|
||
|
0.59811178E-07 0.51958703E-07 0.43897120E-07 0.35679472E-07 0.27358994E-07
|
||
|
0.18988783E-07 0.10621471E-07 0.23089097E-08 -0.58981411E-08 -0.13950308E-07
|
||
|
-0.21799890E-07 -0.29401128E-07 -0.36710458E-07 -0.43686751E-07 -0.50291527E-07
|
||
|
-0.56489158E-07 -0.62247046E-07 -0.67535779E-07 -0.72329266E-07 -0.76604856E-07
|
||
|
-0.80343419E-07 -0.83529424E-07 -0.86150974E-07 -0.88199833E-07 -0.89671426E-07
|
||
|
-0.90564808E-07 -0.90882626E-07 -0.90631048E-07 -0.89819673E-07 -0.88461429E-07
|
||
|
-0.86572440E-07 -0.84171886E-07 -0.81281839E-07 -0.77927087E-07 -0.74134942E-07
|
||
|
-0.69935039E-07 -0.65359115E-07 -0.60440792E-07 -0.55215334E-07 -0.49719414E-07
|
||
|
-0.43990863E-07 -0.38068426E-07 -0.31991503E-07 -0.25799905E-07 -0.19533596E-07
|
||
|
-0.13232449E-07 -0.69359987E-08 -0.68320373E-09 0.54877859E-08 0.11539853E-07
|
||
|
0.17437127E-07 0.23145190E-07 0.28631266E-07 0.33864403E-07 0.38815637E-07
|
||
|
0.43458145E-07 0.47767378E-07 0.51721185E-07 0.55299914E-07 0.58486500E-07
|
||
|
0.61266536E-07 0.63628321E-07 0.65562902E-07 0.67064087E-07 0.68128445E-07
|
||
|
0.68755296E-07 0.68946669E-07 0.68707259E-07 0.68044361E-07 0.66967788E-07
|
||
|
0.65489777E-07 0.63624882E-07 0.61389851E-07 0.58803498E-07 0.55886551E-07
|
||
|
0.52661507E-07 0.49152464E-07 0.45384953E-07 0.41385761E-07 0.37182750E-07
|
||
|
0.32804668E-07 0.28280964E-07 0.23641595E-07 0.18916832E-07 0.14137075E-07
|
||
|
0.93326598E-08 0.45336709E-08 -0.23023726E-09 -0.49300196E-08 -0.95374107E-08
|
||
|
-0.14025089E-07 -0.18366833E-07 -0.22537668E-07 -0.26514004E-07 -0.30273762E-07
|
||
|
-0.33796492E-07 -0.37063475E-07 -0.40057820E-07 -0.42764539E-07 -0.45170619E-07
|
||
|
-0.47265073E-07 -0.49038985E-07 -0.50485532E-07 -0.51600007E-07 -0.52379812E-07
|
||
|
-0.52824453E-07 -0.52935514E-07 -0.52716616E-07 -0.52173376E-07 -0.51313339E-07
|
||
|
-0.50145914E-07 -0.48682284E-07 -0.46935321E-07 -0.44919479E-07 -0.42650690E-07
|
||
|
-0.40146243E-07 -0.37424662E-07 -0.34505576E-07 -0.31409580E-07 -0.28158102E-07
|
||
|
-0.24773254E-07 -0.21277693E-07 -0.17694470E-07 -0.14046882E-07 -0.10358331E-07
|
||
|
-0.66521720E-08 -0.29515738E-08 0.72062322E-09 0.43420435E-08 0.78909080E-08
|
||
|
0.11346161E-07 0.14687592E-07 0.17895946E-07 0.20953036E-07 0.23841836E-07
|
||
|
0.26546574E-07 0.29052813E-07 0.31347525E-07 0.33419149E-07 0.35257650E-07
|
||
|
0.36854555E-07 0.38202994E-07 0.39297713E-07 0.40135093E-07 0.40713149E-07
|
||
|
0.41031524E-07 0.41091468E-07 0.40895811E-07 0.40448931E-07 0.39756698E-07
|
||
|
0.38826428E-07 0.37666817E-07 0.36287869E-07 0.34700821E-07 0.32918055E-07
|
||
|
0.30953010E-07 0.28820087E-07 0.26534545E-07 0.24112399E-07 0.21570312E-07
|
||
|
0.18925484E-07 0.16195537E-07 0.13398406E-07 0.10552219E-07 0.76751892E-08
|
||
|
0.47854954E-08 0.19011747E-08 -0.95998873E-09 -0.37805697E-08 -0.65436053E-08
|
||
|
-0.92326938E-08 -0.11832089E-07 -0.14326788E-07 -0.16702618E-07 -0.18946310E-07
|
||
|
-0.21045572E-07 -0.22989151E-07 -0.24766892E-07 -0.26369787E-07 -0.27790014E-07
|
||
|
-0.29020975E-07 -0.30057320E-07 -0.30894962E-07 -0.31531094E-07 -0.31964184E-07
|
||
|
Kinetic energy density valence
|
||
|
0.18956303E+03 0.18932861E+03 0.18862781E+03 0.18746800E+03 0.18586123E+03
|
||
|
0.18382392E+03 0.18137647E+03 0.17854271E+03 0.17534940E+03 0.17182563E+03
|
||
|
0.16800222E+03 0.16391115E+03 0.15958498E+03 0.15505642E+03 0.15035780E+03
|
||
|
0.14552074E+03 0.14057575E+03 0.13555205E+03 0.13047728E+03 0.12537737E+03
|
||
|
0.12027645E+03 0.11519674E+03 0.11015855E+03 0.10518026E+03 0.10027837E+03
|
||
|
0.95467491E+02 0.90760487E+02 0.86168486E+02 0.81700992E+02 0.77365972E+02
|
||
|
0.73169952E+02 0.69118115E+02 0.65214402E+02 0.61461610E+02 0.57861489E+02
|
||
|
0.54414836E+02 0.51121591E+02 0.47980919E+02 0.44991297E+02 0.42150595E+02
|
||
|
0.39456147E+02 0.36904825E+02 0.34493103E+02 0.32217120E+02 0.30072734E+02
|
||
|
0.28055575E+02 0.26161094E+02 0.24384605E+02 0.22721327E+02 0.21166416E+02
|
||
|
0.19715001E+02 0.18362210E+02 0.17103200E+02 0.15933173E+02 0.14847403E+02
|
||
|
0.13841246E+02 0.12910164E+02 0.12049729E+02 0.11255639E+02 0.10523725E+02
|
||
|
0.98499598E+01 0.92304621E+01 0.86615017E+01 0.81395024E+01 0.76610443E+01
|
||
|
0.72228646E+01 0.68218576E+01 0.64550743E+01 0.61197208E+01 0.58131565E+01
|
||
|
0.55328915E+01 0.52765834E+01 0.50420339E+01 0.48271856E+01 0.46301170E+01
|
||
|
0.44490390E+01 0.42822900E+01 0.41283312E+01 0.39857421E+01 0.38532154E+01
|
||
|
0.37295520E+01 0.36136562E+01 0.35045305E+01 0.34012710E+01 0.33030619E+01
|
||
|
0.32091710E+01 0.31189450E+01 0.30318040E+01 0.29472379E+01 0.28648008E+01
|
||
|
0.27841074E+01 0.27048279E+01 0.26266844E+01 0.25494467E+01 0.24729280E+01
|
||
|
0.23969815E+01 0.23214968E+01 0.22463958E+01 0.21716302E+01 0.20971778E+01
|
||
|
0.20230395E+01 0.19492365E+01 0.18758077E+01 0.18028069E+01 0.17303006E+01
|
||
|
0.16583656E+01 0.15870871E+01 0.15165562E+01 0.14468689E+01 0.13781238E+01
|
||
|
0.13104208E+01 0.12438598E+01 0.11785391E+01 0.11145547E+01 0.10519989E+01
|
||
|
0.99095983E+00 0.93152016E+00 0.87375686E+00 0.81774043E+00 0.76353450E+00
|
||
|
0.71119544E+00 0.66077207E+00 0.61230549E+00 0.56582896E+00 0.52136783E+00
|
||
|
0.47893957E+00 0.43855388E+00 0.40021280E+00 0.36391092E+00 0.32963565E+00
|
||
|
0.29736742E+00 0.26708010E+00 0.23874130E+00 0.21231275E+00 0.18775072E+00
|
||
|
0.16500644E+00 0.14402653E+00 0.12475348E+00 0.10712605E+00 0.91079783E-01
|
||
|
0.76547449E-01 0.63459491E-01 0.51744486E-01 0.41329590E-01 0.32140965E-01
|
||
|
0.24104200E-01 0.17144712E-01 0.11188134E-01 0.61606790E-02 0.19894863E-02
|
||
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0.26237983E-04 0.26220203E-04 0.26023039E-04 0.25649173E-04 0.25102536E-04
|
||
|
0.24388271E-04 0.23512683E-04 0.22483187E-04 0.21308241E-04 0.19997276E-04
|
||
|
0.18560623E-04 0.17009420E-04 0.15355533E-04 0.13611454E-04 0.11790208E-04
|
||
|
0.99052528E-05 0.79703710E-05 0.59995704E-05 0.40069765E-05 0.20067282E-05
|
||
|
0.12873379E-07 -0.19607330E-05 -0.39005286E-05 -0.57933401E-05 -0.76264755E-05
|
||
|
-0.93878120E-05 -0.11065878E-04 -0.12649929E-04 -0.14130021E-04 -0.15497067E-04
|
||
|
-0.16742900E-04 -0.17860318E-04 -0.18843124E-04 -0.19686160E-04 -0.20385329E-04
|
||
|
-0.20937614E-04 -0.21341083E-04 -0.21594886E-04 -0.21699254E-04 -0.21655472E-04
|
||
|
-0.21465863E-04 -0.21133750E-04 -0.20663422E-04 -0.20060082E-04 -0.19329802E-04
|
||
|
-0.18479460E-04 -0.17516683E-04 -0.16449771E-04 -0.15287635E-04 -0.14039716E-04
|
||
|
-0.12715912E-04 -0.11326494E-04 -0.98820288E-05 -0.83932942E-05 -0.68711997E-05
|
||
|
-0.53267037E-05 -0.37707333E-05 -0.22141055E-05 -0.66745139E-06 0.85885806E-06
|
||
|
0.23547817E-05 0.38106750E-05 0.52173516E-05 0.65661415E-05 0.78489430E-05
|
||
|
0.90582700E-05 0.10187294E-04 0.11229878E-04 0.12180611E-04 0.13034825E-04
|
||
|
0.13788620E-04 0.14438871E-04 0.14983233E-04 0.15420145E-04 0.15748820E-04
|
||
|
0.15969236E-04 0.16082117E-04 0.16088910E-04 0.15991759E-04 0.15793475E-04
|
||
|
0.15497496E-04 0.15107851E-04 0.14629115E-04 0.14066362E-04 0.13425120E-04
|
||
|
0.12711317E-04 0.11931228E-04 0.11091428E-04 0.10198728E-04 0.92601273E-05
|
||
|
0.82827583E-05 0.72738304E-05 0.62405784E-05 0.51902113E-05 0.41298618E-05
|
||
|
0.30665387E-05 0.20070818E-05 0.95811882E-06 -0.73974448E-07 -0.10831107E-05
|
||
|
-0.20635248E-05 -0.30098033E-05 -0.39169116E-05 -0.47802155E-05 -0.55955015E-05
|
||
|
-0.63589909E-05 -0.70673518E-05 -0.77177068E-05 -0.83076371E-05 -0.88351830E-05
|
||
|
-0.92988415E-05 -0.96975595E-05 -0.10030726E-04 -0.10298157E-04 -0.10500087E-04
|
||
|
atomic pseudo charge-density
|
||
|
0.60000000E+01 0.59917682E+01 0.59671789E+01 0.59265479E+01 0.58703891E+01
|
||
|
0.57993990E+01 0.57144341E+01 0.56164855E+01 0.55066511E+01 0.53861066E+01
|
||
|
0.52560766E+01 0.51178084E+01 0.49725469E+01 0.48215134E+01 0.46658876E+01
|
||
|
0.45067929E+01 0.43452859E+01 0.41823479E+01 0.40188803E+01 0.38557025E+01
|
||
|
0.36935506E+01 0.35330798E+01 0.33748662E+01 0.32194109E+01 0.30671444E+01
|
||
|
0.29184307E+01 0.27735730E+01 0.26328185E+01 0.24963632E+01 0.23643571E+01
|
||
|
0.22369087E+01 0.21140897E+01 0.19959388E+01 0.18824658E+01 0.17736551E+01
|
||
|
0.16694691E+01 0.15698510E+01 0.14747279E+01 0.13840130E+01 0.12976078E+01
|
||
|
0.12154045E+01 0.11372872E+01 0.10631344E+01 0.99281941E+00 0.92621249E+00
|
||
|
0.86318152E+00 0.80359314E+00 0.74731357E+00 0.69420943E+00 0.64414831E+00
|
||
|
0.59699943E+00 0.55263403E+00 0.51092581E+00 0.47175127E+00 0.43498999E+00
|
||
|
0.40052481E+00 0.36824205E+00 0.33803164E+00 0.30978717E+00 0.28340598E+00
|
||
|
0.25878921E+00 0.23584178E+00 0.21447237E+00 0.19459343E+00 0.17612108E+00
|
||
|
0.15897509E+00 0.14307879E+00 0.12835897E+00 0.11474584E+00 0.10217290E+00
|
||
|
0.90576829E-01 0.79897429E-01 0.70077480E-01 0.61062655E-01 0.52801404E-01
|
||
|
0.45244856E-01 0.38346707E-01 0.32063121E-01 0.26352623E-01 0.21176003E-01
|
||
|
0.16496215E-01 0.12278281E-01 0.84891981E-02 0.50978488E-02 0.20749113E-02
|
||
|
-0.60722379E-03 -0.29745365E-02 -0.50514558E-02 -0.68609362E-02 -0.84245308E-02
|
||
|
-0.97624615E-02 -0.10893686E-01 -0.11835965E-01 -0.12605919E-01 -0.13219093E-01
|
||
|
-0.13690009E-01 -0.14032225E-01 -0.14258381E-01 -0.14380251E-01 -0.14408793E-01
|
||
|
-0.14354189E-01 -0.14225891E-01 -0.14032660E-01 -0.13782607E-01 -0.13483228E-01
|
||
|
-0.13141441E-01 -0.12763619E-01 -0.12355619E-01 -0.11922818E-01 -0.11470137E-01
|
||
|
-0.11002072E-01 -0.10522716E-01 -0.10035788E-01 -0.95446538E-02 -0.90523501E-02
|
||
|
-0.85616041E-02 -0.80748546E-02 -0.75942711E-02 -0.71217720E-02 -0.66590413E-02
|
||
|
-0.62075455E-02 -0.57685489E-02 -0.53431281E-02 -0.49321863E-02 -0.45364661E-02
|
||
|
-0.41565619E-02 -0.37929322E-02 -0.34459103E-02 -0.31157151E-02 -0.28024609E-02
|
||
|
-0.25061667E-02 -0.22267656E-02 -0.19641128E-02 -0.17179932E-02 -0.14881294E-02
|
||
|
-0.12741886E-02 -0.10757887E-02 -0.89250485E-03 -0.72387532E-03 -0.56940654E-03
|
||
|
-0.42857840E-03 -0.30084889E-03 -0.18565853E-03 -0.82434403E-04 0.94060410E-05
|
||
|
0.90451459E-04 0.16129340E-03 0.22252333E-03 0.27472986E-03 0.31849633E-03
|
||
|
0.35439845E-03 0.38300229E-03 0.40486239E-03 0.42052016E-03 0.43050232E-03
|
||
|
0.43531967E-03 0.43546592E-03 0.43141669E-03 0.42362876E-03 0.41253931E-03
|
||
|
0.39856538E-03 0.38210349E-03 0.36352929E-03 0.34319738E-03 0.32144120E-03
|
||
|
0.29857309E-03 0.27488433E-03 0.25064534E-03 0.22610595E-03 0.20149575E-03
|
||
|
0.17702443E-03 0.15288229E-03 0.12924076E-03 0.10625289E-03 0.84054059E-04
|
||
|
0.62762532E-04 0.42480185E-04 0.23293202E-04 0.52728021E-05 -0.11524002E-04
|
||
|
-0.27053639E-04 -0.41285201E-04 -0.54199652E-04 -0.65789040E-04 -0.76055702E-04
|
||
|
-0.85011475E-04 -0.92676915E-04 -0.99080515E-04 -0.10425795E-03 -0.10825132E-03
|
||
|
-0.11110843E-03 -0.11288204E-03 -0.11362924E-03 -0.11341070E-03 -0.11229008E-03
|
||
|
-0.11033340E-03 -0.10760841E-03 -0.10418409E-03 -0.10013005E-03 -0.95516070E-04
|
||
|
-0.90411621E-04 -0.84885399E-04 -0.79004937E-04 -0.72836218E-04 -0.66443335E-04
|
||
|
-0.59888170E-04 -0.53230119E-04 -0.46525841E-04 -0.39829033E-04 -0.33190251E-04
|
||
|
-0.26656743E-04 -0.20272327E-04 -0.14077285E-04 -0.81082927E-05 -0.23983694E-05
|
||
|
0.30231414E-05 0.81305715E-05 0.12901903E-04 0.17318722E-04 0.21366153E-04
|
||
|
0.25032773E-04 0.28310509E-04 0.31194521E-04 0.33683069E-04 0.35777365E-04
|
||
|
0.37481420E-04 0.38801874E-04 0.39747818E-04 0.40330616E-04 0.40563712E-04
|
||
|
0.40462441E-04 0.40043826E-04 0.39326386E-04 0.38329936E-04 0.37075385E-04
|
||
|
0.35584547E-04 0.33879942E-04 0.31984611E-04 0.29921930E-04 0.27715431E-04
|
||
|
0.25388635E-04 0.22964882E-04 0.20467181E-04 0.17918062E-04 0.15339436E-04
|
||
|
0.12752471E-04 0.10177473E-04 0.76337807E-05 0.51396687E-05 0.27122644E-05
|
||
|
0.36747347E-06 -0.18800818E-05 -0.40171137E-05 -0.60317091E-05 -0.79133585E-05
|
||
|
-0.96529743E-05 -0.11242899E-04 -0.12676904E-04 -0.13950175E-04 -0.15059296E-04
|
||
|
-0.16002212E-04 -0.16778201E-04 -0.17387819E-04 -0.17832851E-04 -0.18116253E-04
|
||
|
-0.18242084E-04 -0.18215437E-04 -0.18042361E-04 -0.17729785E-04 -0.17285434E-04
|
||
|
-0.16717743E-04 -0.16035772E-04 -0.15249113E-04 -0.14367807E-04 -0.13402247E-04
|
||
|
-0.12363097E-04 -0.11261200E-04 -0.10107490E-04 -0.89129138E-05 -0.76883457E-05
|
||
|
-0.64445112E-05 -0.51919123E-05 -0.39407577E-05 -0.27008965E-05 -0.14817574E-05
|
||
|
-0.29229234E-06 0.85907434E-06 0.19644914E-05 0.30167207E-05 0.40091716E-05
|
||
|
0.49359292E-05 0.57917773E-05 0.65722154E-05 0.72734700E-05 0.78924998E-05
|
||
|
0.84269965E-05 0.88753790E-05 0.92367833E-05 0.95110471E-05 0.96986898E-05
|
||
|
0.98008880E-05 0.98194471E-05 0.97567688E-05 0.96158151E-05 0.94000700E-05
|
||
|
0.91134970E-05 0.87604960E-05 0.83458562E-05 0.78747095E-05 0.73524808E-05
|
||
|
0.67848391E-05 0.61776466E-05 0.55369090E-05 0.48687256E-05 0.41792397E-05
|
||
|
0.34745906E-05 0.27608668E-05 0.20440603E-05 0.13300234E-05 0.62442752E-06
|
||
|
-0.67275543E-07 -0.73988984E-06 -0.13885085E-05 -0.20085437E-05 -0.25957544E-05
|
||
|
-0.31462690E-05 -0.36566068E-05 -0.41236942E-05 -0.45448781E-05 -0.49179360E-05
|
||
|
-0.52410825E-05 -0.55129715E-05 -0.57326965E-05 -0.58997860E-05 -0.60141970E-05
|
||
|
-0.60763044E-05 -0.60868884E-05 -0.60471179E-05 -0.59585327E-05 -0.58230223E-05
|
||
|
-0.56428029E-05 -0.54203924E-05 -0.51585835E-05 -0.48604160E-05 -0.45291465E-05
|
||
|
-0.41682189E-05 -0.37812323E-05 -0.33719099E-05 -0.29440671E-05 -0.25015791E-05
|
||
|
-0.20483498E-05 -0.15882802E-05 -0.11252383E-05 -0.66302927E-06 -0.20536724E-06
|
||
|
0.24415185E-06 0.68207580E-06 0.11051201E-05 0.15101899E-05 0.18944005E-05
|
||
|
0.22550950E-05 0.25898606E-05 0.28965421E-05 0.31732536E-05 0.34183875E-05
|
||
|
0.36306211E-05 0.38089213E-05 0.39525465E-05 0.40610464E-05 0.41342599E-05
|
||
|
0.41723095E-05 0.41755957E-05 0.41447873E-05 0.40808110E-05 0.39848390E-05
|
||
|
0.38582747E-05 0.37027372E-05 0.35200439E-05 0.33121927E-05 0.30813423E-05
|
||
|
0.28297923E-05 0.25599623E-05 0.22743704E-05 0.19756113E-05 0.16663349E-05
|
||
|
0.13492238E-05 0.10269718E-05 0.70226248E-06 0.37774812E-06 0.56029463E-07
|
||
|
-0.26036379E-06 -0.56899162E-06 -0.86752121E-06 -0.11537433E-05 -0.14255874E-05
|
||
|
-0.16811355E-05 -0.19186341E-05 -0.21365054E-05 -0.23333563E-05 -0.25079860E-05
|
||
|
-0.26593919E-05 -0.27867742E-05 -0.28895379E-05 -0.29672944E-05 -0.30198606E-05
|
||
|
-0.30472565E-05 -0.30497017E-05 -0.30276098E-05 -0.29815818E-05 -0.29123982E-05
|
||
|
-0.28210093E-05 -0.27085250E-05 -0.25762031E-05 -0.24254369E-05 -0.22577417E-05
|
||
|
-0.20747408E-05 -0.18781508E-05 -0.16697664E-05 -0.14514451E-05 -0.12250912E-05
|
||
|
-0.99264006E-06 -0.75604259E-06 -0.51724921E-06 -0.27819473E-06 -0.40783321E-07
|
||
|
0.19312597E-06 0.42173309E-06 0.64331014E-06 0.85621377E-06 0.10588967E-05
|
||
|
0.12499182E-05 0.14279538E-05 0.15918037E-05 0.17403999E-05 0.18728127E-05
|
||
|
0.19882556E-05 0.20860890E-05 0.21658229E-05 0.22271184E-05 0.22697873E-05
|
||
|
0.22937918E-05 0.22992419E-05 0.22863920E-05 0.22556368E-05 0.22075058E-05
|
||
|
0.21426567E-05 0.20618685E-05 0.19660329E-05 0.18561461E-05 0.17332984E-05
|
||
|
0.15986651E-05 0.14534948E-05 0.12990994E-05 0.11368420E-05 0.96812573E-06
|
||
|
0.79438207E-06 0.61705901E-06 0.43760951E-06 0.25747998E-06 0.78099021E-07
|
||
|
-0.99133487E-07 -0.27285691E-06 -0.44175991E-06 -0.60458994E-06 -0.76016212E-06
|
||
|
-0.90736744E-06 -0.10451803E-05 -0.11726650E-05 -0.12889819E-05 -0.13933925E-05
|
||
|
-0.14852631E-05 -0.15640688E-05 -0.16293953E-05 -0.16809406E-05 -0.17185156E-05
|
||
|
-0.17420437E-05 -0.17515598E-05 -0.17472077E-05 -0.17292380E-05 -0.16980037E-05
|
||
|
-0.16539563E-05 -0.15976406E-05 -0.15296886E-05 -0.14508136E-05 -0.13618031E-05
|
||
|
-0.12635116E-05 -0.11568524E-05 -0.10427903E-05 -0.92233235E-06 -0.79652000E-06
|
||
|
-0.66642000E-06 -0.53311582E-06 -0.39769884E-06 -0.26125973E-06 -0.12487991E-06
|
||
|
0.10376743E-07 0.14347194E-06 0.27340070E-06 0.39919865E-06 0.51994892E-06
|
||
|
0.63478855E-06 0.74291440E-06 0.84358840E-06 0.93614237E-06 0.10199820E-05
|
||
|
0.10945905E-05 0.11595312E-05 0.12144497E-05 0.12590755E-05 0.12932226E-05
|
||
|
0.13167896E-05 0.13297593E-05 0.13321972E-05 0.13242500E-05 0.13061429E-05
|
||
|
0.12781768E-05 0.12407243E-05 0.11942263E-05 0.11391870E-05 0.10761690E-05
|
||
|
0.10057881E-05 0.92870765E-06 0.84563242E-06 0.75730267E-06 0.66448769E-06
|
||
|
0.56797936E-06 0.46858561E-06 0.36712387E-06 0.26441456E-06 0.16127462E-06
|
||
|
0.58511240E-07 -0.43084299E-07 -0.14274251E-06 -0.23972134E-06 -0.33331153E-06
|
||
|
-0.42284155E-06 -0.50768228E-06 -0.58725116E-06 -0.66101600E-06 -0.72849830E-06
|
||
|
-0.78927607E-06 -0.84298625E-06 -0.88932650E-06 -0.92805663E-06 -0.95899939E-06
|
||
|
-0.98204088E-06 -0.99713034E-06 -0.10042796E-05 -0.10035617E-05 -0.99510992E-06
|
||
|
-0.97911492E-06 -0.95582299E-06 -0.92553292E-06 -0.88859287E-06 -0.84539685E-06
|
||
|
-0.79638091E-06 -0.74201904E-06 -0.68281887E-06 -0.61931718E-06 -0.55207522E-06
|
||
|
-0.48167399E-06 -0.40870934E-06 -0.33378715E-06 -0.25751842E-06 -0.18051447E-06
|
||
|
-0.10338216E-06 -0.26719275E-07 0.48889971E-07 0.12287925E-06 0.19470419E-06
|
||
|
0.26384628E-06 0.32981642E-06 0.39215822E-06 0.45045103E-06 0.50431256E-06
|
||
|
0.55340123E-06 0.59741810E-06 0.63610853E-06 0.66926332E-06 0.69671965E-06
|
||
|
0.71836148E-06 0.73411971E-06 0.74397192E-06 0.74794171E-06 0.74609775E-06
|
||
|
0.73855252E-06 0.72546063E-06 0.70701694E-06 0.68345434E-06 0.65504133E-06
|
||
|
0.62207928E-06 0.58489958E-06 0.54386050E-06 0.49934403E-06 0.45175243E-06
|
||
|
0.40150482E-06 0.34903361E-06 0.29478096E-06 0.23919514E-06 0.18272698E-06
|
||
|
0.12582635E-06 0.68938632E-07 0.12501430E-07 -0.43058743E-07 -0.97329551E-07
|
||
|
-0.14991578E-06 -0.20044210E-06 -0.24855564E-06 -0.29392827E-06 -0.33625879E-06
|
||
|
-0.37527472E-06 -0.41073394E-06 -0.44242601E-06 -0.47017325E-06 -0.49383155E-06
|
||
|
-0.51329085E-06 -0.52847545E-06 -0.53934393E-06 -0.54588891E-06 -0.54813645E-06
|
||
|
-0.54614533E-06 -0.54000593E-06 -0.52983902E-06 -0.51579428E-06 -0.49804862E-06
|
||
|
-0.47680430E-06 -0.45228697E-06 -0.42474344E-06 -0.39443945E-06 -0.36165724E-06
|
||
|
-0.32669309E-06 -0.28985475E-06 -0.25145888E-06 -0.21182846E-06 -0.17129013E-06
|
||
|
-0.13017161E-06 -0.88799205E-07 -0.47495228E-07 -0.65756355E-08 0.33652317E-07
|
||
|
0.72892288E-07 0.11086094E-06 0.14728990E-06 0.18192753E-06 0.21454062E-06
|
||
|
0.24491580E-06 0.27286083E-06 0.29820574E-06 0.32080368E-06 0.34053168E-06
|
||
|
0.35729110E-06 0.37100800E-06 0.38163324E-06 0.38914236E-06 0.39353538E-06
|
||
|
0.39483629E-06 0.39309245E-06 0.38837379E-06 0.38077183E-06 0.37039859E-06
|
||
|
0.35738535E-06 0.34188124E-06 0.32405181E-06 0.30407740E-06 0.28215149E-06
|
||
|
0.25847896E-06 0.23327429E-06 0.20675973E-06 0.17916342E-06 0.15071756E-06
|
||
|
0.12165650E-06 0.92214908E-07 0.62625940E-07 0.33119493E-07 0.39204731E-08
|
||
|
-0.24752841E-07 -0.52690356E-07 -0.79691630E-07 -0.10556724E-06 -0.13014002E-06
|
||
|
-0.15324623E-06 -0.17473650E-06 -0.19447680E-06 -0.21234910E-06 -0.22825199E-06
|
||
|
-0.24210121E-06 -0.25382987E-06 -0.26338873E-06 -0.27074616E-06 -0.27588813E-06
|
||
|
-0.27881789E-06 -0.27955568E-06 -0.27813822E-06 -0.27461813E-06 -0.26906318E-06
|
||
|
-0.26155550E-06 -0.25219069E-06 -0.24107676E-06 -0.22833314E-06 -0.21408945E-06
|
||
|
-0.19848437E-06 -0.18166438E-06 -0.16378243E-06 -0.14499672E-06 -0.12546929E-06
|
||
|
-0.10536476E-06 -0.84848967E-07 -0.64087698E-07 -0.43245381E-07 -0.22483856E-07
|
||
|
-0.19611759E-08 0.18169540E-07 0.37761194E-07 0.56673721E-07 0.74775041E-07
|
||
|
0.91941915E-07 0.10806073E-06 0.12302817E-06 0.13675185E-06 0.14915077E-06
|
||
|
0.16015574E-06 0.16970969E-06 0.17776785E-06 0.18429788E-06 0.18927986E-06
|
||
|
0.19270618E-06 0.19458142E-06 0.19492200E-06 0.19375587E-06 0.19112205E-06
|
||
|
0.18707012E-06 0.18165960E-06 0.17495934E-06 0.16704677E-06 0.15800716E-06
|
||
|
0.14793277E-06 0.13692204E-06 0.12507866E-06 0.11251074E-06 0.99329810E-07
|
||
|
0.85649925E-07 0.71586741E-07 0.57256578E-07 0.42775511E-07 0.28258476E-07
|
||
|
0.13818407E-07 -0.43459828E-09 -0.14394075E-07 -0.27957942E-07 -0.41029203E-07
|
||
|
-0.53516599E-07 -0.65335199E-07 -0.76406934E-07 -0.86661064E-07 -0.96034581E-07
|
||
|
-0.10447255E-06 -0.11192836E-06 -0.11836393E-06 -0.12374987E-06 -0.12806545E-06
|
||
|
-0.13129869E-06 -0.13344622E-06 -0.13451315E-06 -0.13451288E-06 -0.13346680E-06
|
||
|
-0.13140402E-06 -0.12836094E-06 -0.12438085E-06 -0.11951347E-06 -0.11381442E-06
|
||
|
-0.10734469E-06 -0.10017005E-06 -0.92360437E-07 -0.83989375E-07 -0.75133289E-07
|
||
|
-0.65870878E-07 -0.56282459E-07 -0.46449307E-07 -0.36453014E-07 -0.26374841E-07
|
||
|
-0.16295103E-07 -0.62925573E-08 0.35561753E-08 0.13177164E-07 0.22499690E-07
|
||
|
0.31456735E-07 0.39985431E-07 0.48027466E-07 0.55529455E-07 0.62443256E-07
|
||
|
0.68726248E-07 0.74341555E-07 0.79258225E-07 0.83451356E-07 0.86902179E-07
|
||
|
0.89598085E-07 0.91532608E-07 0.92705360E-07 0.93121921E-07 0.92793682E-07
|
||
|
0.91737646E-07 0.89976198E-07 0.87536821E-07 0.84451795E-07 0.80757852E-07
|
||
|
0.76495811E-07 0.71710181E-07 0.66448747E-07 0.60762140E-07 0.54703386E-07
|
||
|
0.48327453E-07 0.41690783E-07 0.34850826E-07 0.27865575E-07 0.20793100E-07
|
||
|
0.13691096E-07 0.66164403E-08 -0.37524241E-09 -0.72299873E-08 -0.13895884E-07
|
||
|
-0.20323445E-07 -0.26465952E-07 -0.32279767E-07 -0.37724629E-07 -0.42763898E-07
|
||
|
-0.47364791E-07 -0.51498561E-07 -0.55140660E-07 -0.58270853E-07 -0.60873307E-07
|
||
|
-0.62936639E-07 -0.64453926E-07 -0.65422687E-07 -0.65844825E-07 -0.65726543E-07
|
||
|
-0.65078216E-07 -0.63914246E-07 -0.62252880E-07 -0.60116002E-07 -0.57528903E-07
|
||
|
-0.54520026E-07 -0.51120691E-07 -0.47364803E-07 -0.43288541E-07 -0.38930042E-07
|
||
|
-0.34329065E-07 -0.29526655E-07 -0.24564802E-07 -0.19486088E-07 -0.14333352E-07
|
||
|
-0.91493430E-08 -0.39763874E-08 0.11439394E-08 0.61711278E-08 0.11066037E-07
|
||
|
0.15791183E-07 0.20311009E-07 0.24592136E-07 0.28603594E-07 0.32317032E-07
|
||
|
0.35706899E-07 0.38750609E-07 0.41428675E-07 0.43724816E-07 0.45626042E-07
|
||
|
0.47122707E-07 0.48208541E-07 0.48880650E-07 0.49139492E-07 0.48988828E-07
|
||
|
0.48435644E-07 0.47490054E-07 0.46165180E-07 0.44477003E-07 0.42444198E-07
|
||
|
0.40087958E-07 0.37431785E-07 0.34501279E-07 0.31323903E-07 0.27928750E-07
|
||
|
0.24346285E-07 0.20608088E-07 0.16746593E-07 0.12794818E-07 0.87860946E-08
|
||
|
0.47538064E-08 0.73111856E-09 -0.32492800E-08 -0.71554299E-08 -0.10956346E-07
|
||
|
-0.14622251E-07 -0.18124797E-07 -0.21437274E-07 -0.24534804E-07 -0.27394513E-07
|
||
|
-0.29995696E-07 -0.32319950E-07 -0.34351301E-07 -0.36076299E-07 -0.37484099E-07
|
||
|
-0.38566522E-07 -0.39318084E-07 -0.39736020E-07 -0.39820271E-07 -0.39573460E-07
|
||
|
-0.39000843E-07 -0.38110240E-07 -0.36911949E-07 -0.35418637E-07 -0.33645222E-07
|
||
|
-0.31608726E-07 -0.29328124E-07 -0.26824177E-07 -0.24119244E-07 -0.21237099E-07
|
||
|
-0.18202723E-07 -0.15042096E-07 -0.11781986E-07 -0.84497255E-08 -0.50729945E-08
|
||
|
-0.16795946E-08 0.17027704E-08 0.50467127E-08 0.83253752E-08 0.11512639E-07
|
||
|
0.14583326E-07 0.17513386E-07 0.20280082E-07 0.22862158E-07 0.25239997E-07
|
||
|
0.27395758E-07 0.29313512E-07 0.30979344E-07 0.32381456E-07 0.33510238E-07
|
||
|
0.34358333E-07 0.34920673E-07 0.35194510E-07 0.35179413E-07 0.34877262E-07
|
||
|
0.34292212E-07 0.33430649E-07 0.32301121E-07 0.30914256E-07 0.29282668E-07
|
||
|
0.27420840E-07 0.25345002E-07 0.23072988E-07 0.20624087E-07 0.18018882E-07
|
||
|
0.15279080E-07 0.12427334E-07 0.94870581E-08 0.64822396E-08 0.34372466E-08
|
||
|
0.37663374E-09 -0.26750515E-08 -0.56934624E-08 -0.86546427E-08 -0.11535213E-07
|
||
|
-0.14312552E-07 -0.16964967E-07 -0.19471864E-07 -0.21813901E-07 -0.23973131E-07
|
||
|
-0.25933139E-07 -0.27679161E-07 -0.29198193E-07 -0.30479082E-07 -0.31512603E-07
|
||
|
-0.32291527E-07 -0.32810662E-07 -0.33066886E-07 -0.33059162E-07 -0.32788534E-07
|
||
|
-0.32258113E-07 -0.31473037E-07 -0.30440428E-07 -0.29169320E-07 -0.27670585E-07
|
||
|
-0.25956840E-07 -0.24042335E-07 -0.21942839E-07 -0.19675510E-07 -0.17258754E-07
|
||
|
-0.14712073E-07 -0.12055914E-07 -0.93115015E-08 -0.65006691E-08 -0.36456874E-08
|
||
|
-0.76908862E-09 0.21065105E-08 0.49585847E-08 0.77648759E-08 0.10503564E-07
|
||
|
0.13153438E-07 0.15694053E-07 0.18105893E-07 0.20370512E-07 0.22470679E-07
|
||
|
24.7554104503839 T
|
||
|
Non local Part
|
||
|
0 2 0.821728989630451
|
||
|
1.10994576930932 -0.486260596294223 -0.486260596294223
|
||
|
-0.529103145598907
|
||
|
Reciprocal Space Part
|
||
|
0.20381285E+02 0.20292390E+02 0.20026474E+02 0.19585838E+02 0.18974302E+02
|
||
|
0.18197184E+02 0.17261265E+02 0.16174748E+02 0.14947205E+02 0.13589511E+02
|
||
|
0.12113770E+02 0.10533225E+02 0.88621536E+01 0.71157564E+01 0.53100261E+01
|
||
|
0.34616068E+01 0.15876389E+01 -0.29440640E+00 -0.21669041E+01 -0.40122611E+01
|
||
|
-0.58131086E+01 -0.75524998E+01 -0.92141095E+01 -0.10782433E+02 -0.12242979E+02
|
||
|
-0.13582462E+02 -0.14788974E+02 -0.15852149E+02 -0.16763309E+02 -0.17515591E+02
|
||
|
-0.18104044E+02 -0.18525706E+02 -0.18779652E+02 -0.18867009E+02 -0.18790942E+02
|
||
|
-0.18556608E+02 -0.18171078E+02 -0.17643226E+02 -0.16983594E+02 -0.16204220E+02
|
||
|
-0.15318454E+02 -0.14340736E+02 -0.13286373E+02 -0.12171288E+02 -0.11011770E+02
|
||
|
-0.98242107E+01 -0.86248488E+01 -0.74295160E+01 -0.62533928E+01 -0.51107805E+01
|
||
|
-0.40148916E+01 -0.29776633E+01 -0.20095979E+01 -0.11196320E+01 -0.31503793E+00
|
||
|
0.39864201E+00 0.10176272E+01 0.15398963E+01 0.19651516E+01 0.22947515E+01
|
||
|
0.25316127E+01 0.26800860E+01 0.27458073E+01 0.27355296E+01 0.26569378E+01
|
||
|
0.25184528E+01 0.23290282E+01 0.20979441E+01 0.18346040E+01 0.15483372E+01
|
||
|
0.12482123E+01 0.94286456E+00 0.64034147E+00 0.34796826E+00 0.72236220E-01
|
||
|
-0.18128482E+00 -0.40800876E+00 -0.60436998E+00 -0.76783477E+00 -0.89688847E+00
|
||
|
-0.99099957E+00 -0.10505629E+01 -0.10768241E+01 -0.10717884E+01 -0.10381164E+01
|
||
|
-0.97901031E+00 -0.89809393E+00 -0.79928944E+00 -0.68669472E+00 -0.56446391E+00
|
||
|
-0.43669421E+00 -0.30732149E+00 -0.18002693E+00 -0.58156347E-01 0.55346119E-01
|
||
|
0.15798932E+00 0.24777078E+00 0.32319670E+00 0.38328680E+00 0.42756467E+00
|
||
|
Real Space Part
|
||
|
-0.32887890E+03 -0.32860422E+03 -0.32778103E+03 -0.32641186E+03 -0.32450097E+03
|
||
|
-0.32205424E+03 -0.31907921E+03 -0.31558499E+03 -0.31158226E+03 -0.30708318E+03
|
||
|
-0.30210134E+03 -0.29665171E+03 -0.29075055E+03 -0.28441534E+03 -0.27766469E+03
|
||
|
-0.27051830E+03 -0.26299682E+03 -0.25512178E+03 -0.24691556E+03 -0.23840121E+03
|
||
|
-0.22960243E+03 -0.22054350E+03 -0.21124912E+03 -0.20174443E+03 -0.19205486E+03
|
||
|
-0.18220610E+03 -0.17222400E+03 -0.16213457E+03 -0.15196382E+03 -0.14173780E+03
|
||
|
-0.13148250E+03 -0.12122382E+03 -0.11098750E+03 -0.10079911E+03 -0.90684014E+02
|
||
|
-0.80667306E+02 -0.70773801E+02 -0.61027997E+02 -0.51454046E+02 -0.42075723E+02
|
||
|
-0.32916394E+02 -0.23998991E+02 -0.15345971E+02 -0.69792858E+01 0.10796561E+01
|
||
|
0.88100341E+01 0.16191660E+02 0.23205028E+02 0.29831371E+02 0.36052721E+02
|
||
|
0.41851978E+02 0.47212976E+02 0.52120567E+02 0.56560699E+02 0.60520506E+02
|
||
|
0.63988398E+02 0.66954158E+02 0.69409038E+02 0.71345860E+02 0.72759112E+02
|
||
|
0.73645048E+02 0.74001782E+02 0.73829375E+02 0.73129917E+02 0.71907603E+02
|
||
|
0.70168789E+02 0.67922040E+02 0.65178166E+02 0.61950230E+02 0.58253544E+02
|
||
|
0.54105643E+02 0.49526233E+02 0.44537121E+02 0.39162102E+02 0.33426781E+02
|
||
|
0.27358106E+02 0.20988078E+02 0.14403808E+02 0.78135515E+01 0.54828021E+01
|
||
|
0.30319876E+01 0.73903934E+00 -0.13781338E+01 -0.32966046E+01 -0.49906577E+01
|
||
|
-0.64364895E+01 -0.76126001E+01 -0.84998240E+01 -0.90814839E+01 -0.93434176E+01
|
||
|
-0.92740757E+01 -0.88646055E+01 -0.81086220E+01 -0.70024146E+01 -0.55488382E+01
|
||
|
-0.37308263E+01 -0.15372463E+01 0.15876904E+00 -0.23537974E-01 0.00000000E+00
|
||
|
Reciprocal Space Part
|
||
|
0.13438082E+02 0.13371799E+02 0.13173527E+02 0.12844992E+02 0.12389061E+02
|
||
|
0.11809723E+02 0.11112073E+02 0.10302273E+02 0.93875223E+01 0.83760049E+01
|
||
|
0.72768379E+01 0.61000053E+01 0.48562832E+01 0.35571548E+01 0.22147146E+01
|
||
|
0.84156251E+00 -0.54931223E+00 -0.19446569E+01 -0.33310895E+01 -0.46952405E+01
|
||
|
-0.60239006E+01 -0.73041728E+01 -0.85236267E+01 -0.96704521E+01 -0.10733611E+02
|
||
|
-0.11702984E+02 -0.12569510E+02 -0.13325309E+02 -0.13963805E+02 -0.14479818E+02
|
||
|
-0.14869647E+02 -0.15131130E+02 -0.15263684E+02 -0.15268316E+02 -0.15147617E+02
|
||
|
-0.14905722E+02 -0.14548255E+02 -0.14082243E+02 -0.13516007E+02 -0.12859031E+02
|
||
|
-0.12121816E+02 -0.11315711E+02 -0.10452729E+02 -0.95453610E+01 -0.86063686E+01
|
||
|
-0.76485856E+01 -0.66847120E+01 -0.57271153E+01 -0.47876388E+01 -0.38774215E+01
|
||
|
-0.30067335E+01 -0.21848295E+01 -0.14198232E+01 -0.71858500E+00 -0.86665233E-01
|
||
|
0.47175692E+00 0.95389708E+00 0.13583625E+01 0.16851226E+01 0.19354534E+01
|
||
|
0.21118597E+01 0.22179742E+01 0.22584388E+01 0.22387694E+01 0.21652085E+01
|
||
|
0.20445684E+01 0.18840693E+01 0.16911747E+01 0.14734297E+01 0.12383042E+01
|
||
|
0.99304450E+00 0.74453637E+00 0.49918298E+00 0.26279861E+00 0.40520759E-01
|
||
|
-0.16325832E+00 -0.34493986E+00 -0.50174643E+00 -0.63172949E+00 -0.73375760E+00
|
||
|
-0.80748615E+00 -0.85331054E+00 -0.87230447E+00 -0.86614562E+00 -0.83703131E+00
|
||
|
-0.78758645E+00 -0.72076673E+00 -0.63975949E+00 -0.54788503E+00 -0.44850080E+00
|
||
|
-0.34491069E+00 -0.24028156E+00 -0.13756876E+00 -0.39451932E-01 0.51717551E-01
|
||
|
0.13395703E+00 0.20568037E+00 0.26571322E+00 0.31329598E+00 0.34807519E+00
|
||
|
Real Space Part
|
||
|
-0.26440140E+03 -0.26419157E+03 -0.26356268E+03 -0.26251653E+03 -0.26105610E+03
|
||
|
-0.25918557E+03 -0.25691026E+03 -0.25423661E+03 -0.25117220E+03 -0.24772565E+03
|
||
|
-0.24390660E+03 -0.23972571E+03 -0.23519457E+03 -0.23032565E+03 -0.22513229E+03
|
||
|
-0.21962860E+03 -0.21382944E+03 -0.20775035E+03 -0.20140750E+03 -0.19481764E+03
|
||
|
-0.18799804E+03 -0.18096643E+03 -0.17374096E+03 -0.16634014E+03 -0.15878281E+03
|
||
|
-0.15108808E+03 -0.14327527E+03 -0.13536391E+03 -0.12737366E+03 -0.11932429E+03
|
||
|
-0.11123565E+03 -0.10312763E+03 -0.95020131E+02 -0.86933045E+02 -0.78886210E+02
|
||
|
-0.70899396E+02 -0.62992277E+02 -0.55184404E+02 -0.47495180E+02 -0.39943835E+02
|
||
|
-0.32549398E+02 -0.25330667E+02 -0.18306177E+02 -0.11494171E+02 -0.49125584E+01
|
||
|
0.14211241E+01 0.74897543E+01 0.13276675E+02 0.18765745E+02 0.23941399E+02
|
||
|
0.28788707E+02 0.33293442E+02 0.37442151E+02 0.41222235E+02 0.44622021E+02
|
||
|
0.47630853E+02 0.50239175E+02 0.52438618E+02 0.54222093E+02 0.55583874E+02
|
||
|
0.56519692E+02 0.57026816E+02 0.57104132E+02 0.56752220E+02 0.55973417E+02
|
||
|
0.54771872E+02 0.53153594E+02 0.51126479E+02 0.48700329E+02 0.45886846E+02
|
||
|
0.42699620E+02 0.39154083E+02 0.35267457E+02 0.31058667E+02 0.26548187E+02
|
||
|
0.21757674E+02 0.16712921E+02 0.11483820E+02 0.62370447E+01 0.43817603E+01
|
||
|
0.24259588E+01 0.59199765E+00 -0.11051557E+01 -0.26464613E+01 -0.40106010E+01
|
||
|
-0.51777428E+01 -0.61298692E+01 -0.68508148E+01 -0.73264031E+01 -0.75444804E+01
|
||
|
-0.74950057E+01 -0.71701288E+01 -0.65640147E+01 -0.56730193E+01 -0.44988594E+01
|
||
|
-0.30270969E+01 -0.12481544E+01 0.12893219E+00 -0.19114573E-01 0.00000000E+00
|
||
|
Non local Part
|
||
|
1 2 0.821728989630451
|
||
|
6.12884221516646 -10.2499971659541 -10.2499971659541
|
||
|
16.6355590099336
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.77436640E+00 0.15346617E+01 0.22670851E+01 0.29583701E+01
|
||
|
0.35960384E+01 0.41686362E+01 0.46659502E+01 0.50791971E+01 0.54011839E+01
|
||
|
0.56264349E+01 0.57512844E+01 0.57739311E+01 0.56944559E+01 0.55148009E+01
|
||
|
0.52387121E+01 0.48716457E+01 0.44206422E+01 0.38941691E+01 0.33019384E+01
|
||
|
0.26547007E+01 0.19640223E+01 0.12420490E+01 0.50126270E+00 -0.24576442E+00
|
||
|
-0.98661314E+00 -0.17092523E+01 -0.24022608E+01 -0.30550335E+01 -0.36579643E+01
|
||
|
-0.42026060E+01 -0.46818017E+01 -0.50897875E+01 -0.54222628E+01 -0.56764298E+01
|
||
|
-0.58510005E+01 -0.59461725E+01 -0.59635752E+01 -0.59061879E+01 -0.57782322E+01
|
||
|
-0.55850430E+01 -0.53329202E+01 -0.50289651E+01 -0.46809069E+01 -0.42969214E+01
|
||
|
-0.38854477E+01 -0.34550068E+01 -0.30140249E+01 -0.25706666E+01 -0.21326809E+01
|
||
|
-0.17072622E+01 -0.13009300E+01 -0.91942838E+00 -0.56764716E+00 -0.24956582E+00
|
||
|
0.31780148E-01 0.27430995E+00 0.47688647E+00 0.63928453E+00 0.76214012E+00
|
||
|
0.84688279E+00 0.89565341E+00 0.91121006E+00 0.89682480E+00 0.85617430E+00
|
||
|
0.79322715E+00 0.71213089E+00 0.61710144E+00 0.51231747E+00 0.40182219E+00
|
||
|
0.28943449E+00 0.17867113E+00 0.72681469E-01 -0.25804441E-01 -0.11451380E+00
|
||
|
-0.19165476E+00 -0.25592621E+00 -0.30651405E+00 -0.34307498E+00 -0.36570880E+00
|
||
|
-0.37492076E+00 -0.37157550E+00 -0.35684428E+00 -0.33214742E+00 -0.29909376E+00
|
||
|
-0.25941894E+00 -0.21492443E+00 -0.16741874E+00 -0.11866261E+00 -0.70319230E-01
|
||
|
-0.23910784E-01 0.19217922E-01 0.57928068E-01 0.91307335E-01 0.11868221E+00
|
||
|
0.13962223E+00 0.15393648E+00 0.16166301E+00 0.16305184E+00 0.15854243E+00
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.26861587E+01 -0.53613903E+01 -0.80148402E+01 -0.10635798E+02
|
||
|
-0.13213766E+02 -0.15738531E+02 -0.18200219E+02 -0.20589364E+02 -0.22896957E+02
|
||
|
-0.25114496E+02 -0.27234029E+02 -0.29248190E+02 -0.31150230E+02 -0.32934040E+02
|
||
|
-0.34594167E+02 -0.36125822E+02 -0.37524886E+02 -0.38787907E+02 -0.39912086E+02
|
||
|
-0.40895272E+02 -0.41735933E+02 -0.42433142E+02 -0.42986543E+02 -0.43396327E+02
|
||
|
-0.43663199E+02 -0.43788343E+02 -0.43773394E+02 -0.43620401E+02 -0.43331793E+02
|
||
|
-0.42910354E+02 -0.42359189E+02 -0.41681699E+02 -0.40881559E+02 -0.39962695E+02
|
||
|
-0.38929269E+02 -0.37785663E+02 -0.36536476E+02 -0.35186510E+02 -0.33740773E+02
|
||
|
-0.32204481E+02 -0.30583059E+02 -0.28882149E+02 -0.27107621E+02 -0.25265584E+02
|
||
|
-0.23362394E+02 -0.21404672E+02 -0.19399314E+02 -0.17353500E+02 -0.15274705E+02
|
||
|
-0.13170703E+02 -0.11049575E+02 -0.89196991E+01 -0.67897505E+01 -0.46686839E+01
|
||
|
-0.25657160E+01 -0.49029773E+00 0.15479207E+01 0.35391324E+01 0.54734250E+01
|
||
|
0.73408410E+01 0.91314457E+01 0.10835404E+02 0.12443065E+02 0.13945052E+02
|
||
|
0.15332364E+02 0.16596475E+02 0.17729443E+02 0.18724020E+02 0.19573765E+02
|
||
|
0.20273153E+02 0.20817682E+02 0.21203983E+02 0.21429912E+02 0.21494641E+02
|
||
|
0.21398744E+02 0.21144259E+02 0.20734743E+02 0.20175319E+02 0.19472688E+02
|
||
|
0.18635147E+02 0.17672569E+02 0.16596377E+02 0.15419495E+02 0.14156276E+02
|
||
|
0.12822427E+02 0.11434894E+02 0.10011759E+02 0.85720928E+01 0.71358233E+01
|
||
|
0.57235723E+01 0.43564978E+01 0.30560718E+01 0.18439250E+01 0.74359368E+00
|
||
|
-0.23216957E+00 -0.10693025E+01 -0.13318153E+01 -0.15899388E+00 0.00000000E+00
|
||
|
Reciprocal Space Part
|
||
|
0.00000000E+00 0.43664812E+00 0.86378376E+00 0.12720859E+01 0.16526124E+01
|
||
|
0.19969794E+01 0.22975284E+01 0.25474788E+01 0.27410606E+01 0.28736271E+01
|
||
|
0.29417424E+01 0.29432447E+01 0.28772824E+01 0.27443226E+01 0.25461335E+01
|
||
|
0.22857388E+01 0.19673476E+01 0.15962604E+01 0.11787531E+01 0.72194300E+00
|
||
|
0.23363879E+00 -0.27782202E+00 -0.80374401E+00 -0.13352497E+01 -0.18634569E+01
|
||
|
-0.23796523E+01 -0.28754602E+01 -0.33429999E+01 -0.37750310E+01 -0.41650818E+01
|
||
|
-0.45075604E+01 -0.47978443E+01 -0.50323488E+01 -0.52085717E+01 -0.53251155E+01
|
||
|
-0.53816851E+01 -0.53790642E+01 -0.53190682E+01 -0.52044788E+01 -0.50389588E+01
|
||
|
-0.48269525E+01 -0.45735716E+01 -0.42844719E+01 -0.39657215E+01 -0.36236657E+01
|
||
|
-0.32647906E+01 -0.28955881E+01 -0.25224260E+01 -0.21514264E+01 -0.17883528E+01
|
||
|
-0.14385104E+01 -0.11066600E+01 -0.79694723E+00 -0.51284824E+00 -0.25713256E+00
|
||
|
-0.31842906E-01 0.16170806E+00 0.32292457E+00 0.45189934E+00 0.54937117E+00
|
||
|
0.61667011E+00 0.65565217E+00 0.66862536E+00 0.65826944E+00 0.62755146E+00
|
||
|
0.57963926E+00 0.51781530E+00 0.44539266E+00 0.36563528E+00 0.28168415E+00
|
||
|
0.19649092E+00 0.11276023E+00 0.32901692E-01 -0.41007738E-01 -0.10725069E+00
|
||
|
-0.16448544E+00 -0.21175134E+00 -0.24846406E+00 -0.27440135E+00 -0.28968024E+00
|
||
|
-0.29472676E+00 -0.29023943E+00 -0.27714787E+00 -0.25656791E+00 -0.22975469E+00
|
||
|
-0.19805500E+00 -0.16286045E+00 -0.12556247E+00 -0.87510542E-01 -0.49974388E-01
|
||
|
-0.14111160E-01 0.19061861E-01 0.48688544E-01 0.74088950E-01 0.94768046E-01
|
||
|
0.11041825E+00 0.12091607E+00 0.12631334E+00 0.12682358E+00 0.12280423E+00
|
||
|
Real Space Part
|
||
|
0.00000000E+00 -0.26775561E+01 -0.53440412E+01 -0.79884613E+01 -0.10599975E+02
|
||
|
-0.13167969E+02 -0.15682128E+02 -0.18132501E+02 -0.20509569E+02 -0.22804299E+02
|
||
|
-0.25008198E+02 -0.27113359E+02 -0.29112498E+02 -0.30998992E+02 -0.32766898E+02
|
||
|
-0.34410973E+02 -0.35926688E+02 -0.37310225E+02 -0.38558482E+02 -0.39669056E+02
|
||
|
-0.40640234E+02 -0.41470967E+02 -0.42160851E+02 -0.42710088E+02 -0.43119463E+02
|
||
|
-0.43390303E+02 -0.43524437E+02 -0.43524164E+02 -0.43392208E+02 -0.43131679E+02
|
||
|
-0.42746038E+02 -0.42239057E+02 -0.41614783E+02 -0.40877511E+02 -0.40031746E+02
|
||
|
-0.39082185E+02 -0.38033686E+02 -0.36891257E+02 -0.35660033E+02 -0.34345270E+02
|
||
|
-0.32952332E+02 -0.31486691E+02 -0.29953921E+02 -0.28359703E+02 -0.26709829E+02
|
||
|
-0.25010203E+02 -0.23266857E+02 -0.21485949E+02 -0.19673781E+02 -0.17836800E+02
|
||
|
-0.15981609E+02 -0.14114970E+02 -0.12243806E+02 -0.10375202E+02 -0.85163983E+01
|
||
|
-0.66747816E+01 -0.48578706E+01 -0.30732953E+01 -0.13287703E+01 0.36793768E+00
|
||
|
0.20090494E+01 0.35868195E+01 0.50935893E+01 0.65218462E+01 0.78642888E+01
|
||
|
0.91138978E+01 0.10264012E+02 0.11308408E+02 0.12241381E+02 0.13057833E+02
|
||
|
0.13753354E+02 0.14324307E+02 0.14767913E+02 0.15082323E+02 0.15266695E+02
|
||
|
0.15321260E+02 0.15247374E+02 0.15047570E+02 0.14725596E+02 0.14286432E+02
|
||
|
0.13736307E+02 0.13082696E+02 0.12334297E+02 0.11501009E+02 0.10593875E+02
|
||
|
0.96250310E+01 0.86076242E+01 0.75557342E+01 0.64842647E+01 0.54088423E+01
|
||
|
0.43456935E+01 0.33115225E+01 0.23233386E+01 0.13983350E+01 0.55525537E+00
|
||
|
-0.19553803E+00 -0.84260286E+00 -0.10442207E+01 -0.12463972E+00 0.00000000E+00
|
||
|
PAW radial sets
|
||
|
377 0.721520152002726
|
||
|
(5E20.12)
|
||
|
augmentation charges (non sperical)
|
||
|
-0.157752210133E+00 0.204307985990E+00 0.447401445179E-01 -0.525030860708E-01 0.204307985990E+00
|
||
|
-0.264895400929E+00 -0.572873051840E-01 0.674773332044E-01 0.447401445179E-01 -0.572873051840E-01
|
||
|
0.206642371551E+00 -0.289235099519E+00 -0.525030860708E-01 0.674773332044E-01 -0.289235099519E+00
|
||
|
0.406654885716E+00
|
||
|
uccopancies in atom
|
||
|
0.200000000006E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.133333333302E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00
|
||
|
grid
|
||
|
0.292861757568E-04 0.302384891324E-04 0.312217693632E-04 0.322370234141E-04 0.332852909940E-04
|
||
|
0.343676456204E-04 0.354851957192E-04 0.366390857593E-04 0.378304974248E-04 0.390606508255E-04
|
||
|
0.403308057460E-04 0.416422629358E-04 0.429963654417E-04 0.443944999831E-04 0.458380983718E-04
|
||
|
0.473286389788E-04 0.488676482478E-04 0.504567022590E-04 0.520974283424E-04 0.537915067449E-04
|
||
|
0.555406723508E-04 0.573467164586E-04 0.592114886153E-04 0.611368985105E-04 0.631249179321E-04
|
||
|
0.651775827859E-04 0.672969951799E-04 0.694853255777E-04 0.717448150208E-04 0.740777774238E-04
|
||
|
0.764866019442E-04 0.789737554287E-04 0.815417849398E-04 0.841933203642E-04 0.869310771058E-04
|
||
|
0.897578588667E-04 0.926765605186E-04 0.956901710669E-04 0.988017767123E-04 0.102014564011E-03
|
||
|
0.105331823137E-03 0.108756951255E-03 0.112293455994E-03 0.115944959045E-03 0.119715199866E-03
|
||
|
0.123608039513E-03 0.127627464593E-03 0.131777591350E-03 0.136062669876E-03 0.140487088466E-03
|
||
|
0.145055378110E-03 0.149772217137E-03 0.154642436003E-03 0.159671022236E-03 0.164863125548E-03
|
||
|
0.170224063108E-03 0.175759324983E-03 0.181474579766E-03 0.187375680376E-03 0.193468670057E-03
|
||
|
0.199759788562E-03 0.206255478546E-03 0.212962392164E-03 0.219887397881E-03 0.227037587508E-03
|
||
|
0.234420283464E-03 0.242043046275E-03 0.249913682317E-03 0.258040251807E-03 0.266431077064E-03
|
||
|
0.275094751026E-03 0.284040146052E-03 0.293276423008E-03 0.302813040649E-03 0.312659765305E-03
|
||
|
0.322826680882E-03 0.333324199190E-03 0.344163070606E-03 0.355354395080E-03 0.366909633507E-03
|
||
|
0.378840619461E-03 0.391159571315E-03 0.403879104750E-03 0.417012245681E-03 0.430572443592E-03
|
||
|
0.444573585311E-03 0.459030009230E-03 0.473956519990E-03 0.489368403644E-03 0.505281443305E-03
|
||
|
0.521711935319E-03 0.538676705943E-03 0.556193128586E-03 0.574279141596E-03 0.592953266629E-03
|
||
|
0.612234627622E-03 0.632142970374E-03 0.652698682767E-03 0.673922815646E-03 0.695837104379E-03
|
||
|
0.718463991113E-03 0.741826647755E-03 0.765948999709E-03 0.790855750370E-03 0.816572406429E-03
|
||
|
0.843125303987E-03 0.870541635532E-03 0.898849477784E-03 0.928077820446E-03 0.958256595896E-03
|
||
|
0.989416709837E-03 0.102159007295E-02 0.105480963356E-02 0.108910941142E-02 0.112452453248E-02
|
||
|
0.116109126493E-02 0.119884705630E-02 0.123783057181E-02 0.127808173400E-02 0.131964176357E-02
|
||
|
0.136255322161E-02 0.140686005323E-02 0.145260763247E-02 0.149984280887E-02 0.154861395536E-02
|
||
|
0.159897101787E-02 0.165096556643E-02 0.170465084799E-02 0.176008184098E-02 0.181731531158E-02
|
||
|
0.187640987187E-02 0.193742603983E-02 0.200042630136E-02 0.206547517423E-02 0.213263927416E-02
|
||
|
0.220198738308E-02 0.227359051949E-02 0.234752201127E-02 0.242385757072E-02 0.250267537214E-02
|
||
|
0.258405613183E-02 0.266808319080E-02 0.275484260011E-02 0.284442320898E-02 0.293691675577E-02
|
||
|
0.303241796195E-02 0.313102462912E-02 0.323283773910E-02 0.333796155744E-02 0.344650374009E-02
|
||
|
0.355857544374E-02 0.367429143961E-02 0.379377023099E-02 0.391713417460E-02 0.404450960591E-02
|
||
|
0.417602696847E-02 0.431182094758E-02 0.445203060811E-02 0.459679953703E-02 0.474627599036E-02
|
||
|
0.490061304506E-02 0.505996875575E-02 0.522450631661E-02 0.539439422848E-02 0.556980647142E-02
|
||
|
0.575092268290E-02 0.593792834175E-02 0.613101495811E-02 0.633038026953E-02 0.653622844353E-02
|
||
|
0.674877028662E-02 0.696822346022E-02 0.719481270355E-02 0.742877006381E-02 0.767033513377E-02
|
||
|
0.791975529717E-02 0.817728598207E-02 0.844319092237E-02 0.871774242798E-02 0.900122166363E-02
|
||
|
0.929391893683E-02 0.959613399516E-02 0.990817633326E-02 0.102303655097E-01 0.105630314745E-01
|
||
|
0.109065149065E-01 0.112611675628E-01 0.116273526388E-01 0.120054451399E-01 0.123958322659E-01
|
||
|
0.127989138074E-01 0.132151025550E-01 0.136448247225E-01 0.140885203828E-01 0.145466439191E-01
|
||
|
0.150196644899E-01 0.155080665096E-01 0.160123501446E-01 0.165330318254E-01 0.170706447755E-01
|
||
|
0.176257395575E-01 0.181988846371E-01 0.187906669648E-01 0.194016925775E-01 0.200325872188E-01
|
||
|
0.206839969800E-01 0.213565889615E-01 0.220510519564E-01 0.227680971554E-01 0.235084588754E-01
|
||
|
0.242728953116E-01 0.250621893137E-01 0.258771491876E-01 0.267186095236E-01 0.275874320505E-01
|
||
|
0.284845065186E-01 0.294107516104E-01 0.303671158820E-01 0.313545787337E-01 0.323741514141E-01
|
||
|
0.334268780544E-01 0.345138367389E-01 0.356361406081E-01 0.367949389994E-01 0.379914186235E-01
|
||
|
0.392268047802E-01 0.405023626127E-01 0.418193984038E-01 0.431792609133E-01 0.445833427591E-01
|
||
|
0.460330818438E-01 0.475299628269E-01 0.490755186453E-01 0.506713320832E-01 0.523190373930E-01
|
||
|
0.540203219690E-01 0.557769280752E-01 0.575906546298E-01 0.594633590472E-01 0.613969591405E-01
|
||
|
0.633934350851E-01 0.654548314468E-01 0.675832592756E-01 0.697808982676E-01 0.720499989972E-01
|
||
|
0.743928852218E-01 0.768119562617E-01 0.793096894569E-01 0.818886427046E-01 0.845514570782E-01
|
||
|
0.873008595323E-01 0.901396656953E-01 0.930707827527E-01 0.960972124246E-01 0.992220540394E-01
|
||
|
0.102448507708E+00 0.105779877601E+00 0.109219575332E+00 0.112771123452E+00 0.116438159057E+00
|
||
|
0.120224437512E+00 0.124133836297E+00 0.128170358977E+00 0.132338139305E+00 0.136641445452E+00
|
||
|
0.141084684380E+00 0.145672406352E+00 0.150409309599E+00 0.155300245122E+00 0.160350221666E+00
|
||
|
0.165564410850E+00 0.170948152458E+00 0.176506959912E+00 0.182246525918E+00 0.188172728291E+00
|
||
|
0.194291635982E+00 0.200609515285E+00 0.207132836263E+00 0.213868279365E+00 0.220822742274E+00
|
||
|
0.228003346967E+00 0.235417447012E+00 0.243072635094E+00 0.250976750795E+00 0.259137888621E+00
|
||
|
0.267564406289E+00 0.276264933290E+00 0.285248379723E+00 0.294523945424E+00 0.304101129382E+00
|
||
|
0.313989739470E+00 0.324199902489E+00 0.334742074538E+00 0.345627051723E+00 0.356865981211E+00
|
||
|
0.368470372648E+00 0.380452109945E+00 0.392823463449E+00 0.405597102506E+00 0.418786108438E+00
|
||
|
0.432403987941E+00 0.446464686913E+00 0.460982604738E+00 0.475972609033E+00 0.491450050872E+00
|
||
|
0.507430780509E+00 0.523931163606E+00 0.540968097998E+00 0.558559030995E+00 0.576721977248E+00
|
||
|
0.595475537203E+00 0.614838916143E+00 0.634831943861E+00 0.655475094963E+00 0.676789509841E+00
|
||
|
0.698797016317E+00 0.721520152003E+00 0.744982187373E+00 0.769207149603E+00 0.794219847171E+00
|
||
|
0.820045895265E+00 0.846711742015E+00 0.874244695578E+00 0.902672952104E+00 0.932025624613E+00
|
||
|
0.962332772806E+00 0.993625433851E+00 0.102593565417E+01 0.105929652224E+01 0.109374220253E+01
|
||
|
0.112930797040E+01 0.116603024832E+01 0.120394664310E+01 0.124309598446E+01 0.128351836473E+01
|
||
|
0.132525517996E+01 0.136834917231E+01 0.141284447378E+01 0.145878665145E+01 0.150622275412E+01
|
||
|
0.155520136052E+01 0.160577262901E+01 0.165798834900E+01 0.171190199393E+01 0.176756877610E+01
|
||
|
0.182504570315E+01 0.188439163649E+01 0.194566735153E+01 0.200893559995E+01 0.207426117398E+01
|
||
|
0.214171097271E+01 0.221135407063E+01 0.228326178835E+01 0.235750776566E+01 0.243416803694E+01
|
||
|
0.251332110900E+01 0.259504804149E+01 0.267943252995E+01 0.276656099146E+01 0.285652265317E+01
|
||
|
0.294940964370E+01 0.304531708744E+01 0.314434320198E+01 0.324658939873E+01 0.335216038673E+01
|
||
|
0.346116427989E+01 0.357371270772E+01 0.368992092966E+01 0.380990795306E+01 0.393379665514E+01
|
||
|
0.406171390874E+01 0.419379071232E+01 0.433016232405E+01 0.447096840040E+01 0.461635313908E+01
|
||
|
0.476646542677E+01 0.492145899157E+01
|
||
|
aepotential
|
||
|
0.344621258081E+05 0.335729067623E+05 0.326607416941E+05 0.317299034284E+05 0.307848731777E+05
|
||
|
0.298307969953E+05 0.288714723153E+05 0.279108476125E+05 0.269530828905E+05 0.260013700630E+05
|
||
|
0.250590462996E+05 0.241289578547E+05 0.232136948866E+05 0.223155372791E+05 0.214364903046E+05
|
||
|
0.205782400891E+05 0.197422067901E+05 0.189295545288E+05 0.181411896891E+05 0.173777933984E+05
|
||
|
0.166398347359E+05 0.159275901007E+05 0.152411617378E+05 0.145804968173E+05 0.139454056220E+05
|
||
|
0.133355789912E+05 0.127506057105E+05 0.121899870958E+05 0.116531529420E+05 0.111394731301E+05
|
||
|
0.106482740668E+05 0.101788407125E+05 0.973044232850E+04 0.930231774779E+04 0.889371208115E+04
|
||
|
0.850385711630E+04 0.813199778801E+04 0.777733492795E+04 0.743921558723E+04 0.711683989559E+04
|
||
|
0.680951807437E+04 0.651655327432E+04 0.623731835190E+04 0.597111211607E+04 0.571736532578E+04
|
||
|
0.547542866342E+04 0.524478544347E+04 0.502484749785E+04 0.481511055968E+04 0.461506537251E+04
|
||
|
0.442422627572E+04 0.424215415657E+04 0.406841013856E+04 0.390257283264E+04 0.374426904131E+04
|
||
|
0.359310828044E+04 0.344874589473E+04 0.331084844394E+04 0.317909235300E+04 0.305317686618E+04
|
||
|
0.293281530786E+04 0.281773745240E+04 0.270768572254E+04 0.260241800036E+04 0.250169805262E+04
|
||
|
0.240531038461E+04 0.231304515437E+04 0.222470753749E+04 0.214010885182E+04 0.205907320936E+04
|
||
|
0.198142823906E+04 0.190703017325E+04 0.183569506453E+04 0.176732214107E+04 0.170174332510E+04
|
||
|
0.163884615880E+04 0.157849476743E+04 0.152058905879E+04 0.146500411033E+04 0.141164737899E+04
|
||
|
0.136040650959E+04 0.131120023169E+04 0.126392795858E+04 0.121851114520E+04 0.117486458651E+04
|
||
|
0.113291359203E+04 0.109258203607E+04 0.105380277113E+04 0.101650771653E+04 0.980633491961E+03
|
||
|
0.946120468820E+03 0.912909875716E+03 0.880948942471E+03 0.850183864658E+03 0.820565723827E+03
|
||
|
0.792046280915E+03 0.764581639764E+03 0.738127267272E+03 0.712642842886E+03 0.688088773759E+03
|
||
|
0.664427553327E+03 0.641623446003E+03 0.619641944976E+03 0.598450791497E+03 0.578018196918E+03
|
||
|
0.558314609627E+03 0.539311454631E+03 0.520980962768E+03 0.503297847872E+03 0.486235826147E+03
|
||
|
0.469772222245E+03 0.453883103484E+03 0.438547171708E+03 0.423742754829E+03 0.409450429586E+03
|
||
|
0.395649858104E+03 0.382323304692E+03 0.369452930676E+03 0.357021152711E+03 0.345012042353E+03
|
||
|
0.333409878926E+03 0.322199481670E+03 0.311366243409E+03 0.300896602770E+03 0.290776925936E+03
|
||
|
0.280994462215E+03 0.271537003396E+03 0.262392473107E+03 0.253549720464E+03 0.244997624825E+03
|
||
|
0.236725695980E+03 0.228723854313E+03 0.220982243515E+03 0.213491534734E+03 0.206242677104E+03
|
||
|
0.199226959196E+03 0.192436005793E+03 0.185861725060E+03 0.179496332680E+03 0.173332347180E+03
|
||
|
0.167362508794E+03 0.161579865604E+03 0.155977679903E+03 0.150549449447E+03 0.145288974557E+03
|
||
|
0.140190119326E+03 0.135247093223E+03 0.130454356386E+03 0.125806290270E+03 0.121297777874E+03
|
||
|
0.116923687812E+03 0.112679121082E+03 0.108559363991E+03 0.104559783685E+03 0.100675968060E+03
|
||
|
0.969036453311E+02 0.932386213490E+02 0.896769088661E+02 0.862146040042E+02 0.828479591691E+02
|
||
|
0.795732866856E+02 0.763870981432E+02 0.732859316288E+02 0.702664713805E+02 0.673255135871E+02
|
||
|
0.644599156545E+02 0.616666543352E+02 0.589427852713E+02 0.562854590986E+02 0.536918917916E+02
|
||
|
0.511594018487E+02 0.486853599444E+02 0.462672357667E+02 0.439025448159E+02 0.415888905624E+02
|
||
|
0.393239315843E+02 0.371053921510E+02 0.349310577904E+02 0.327987741501E+02 0.307064390306E+02
|
||
|
0.286520093163E+02 0.266334939285E+02 0.246489481004E+02 0.226964871294E+02 0.207742498323E+02
|
||
|
0.188804622748E+02 0.170133488556E+02 0.151712071942E+02 0.133523715846E+02 0.115552044053E+02
|
||
|
0.977812175990E+01 0.801957691785E+01 0.627804931623E+01 0.455206759050E+01 0.284018949892E+01
|
||
|
0.114101099058E+01 -0.546842741628E+00 -0.222470268924E+01 -0.389387720072E+01 -0.555563610367E+01
|
||
|
-0.721121658891E+01 -0.886182581561E+01 -0.105086379622E+02 -0.121527945082E+02 -0.137954074004E+02
|
||
|
-0.154375544934E+02 -0.170802833706E+02 -0.187246098016E+02 -0.203715176356E+02 -0.220219576713E+02
|
||
|
-0.236768501310E+02 -0.253370807293E+02 -0.270035038018E+02 -0.286769385363E+02 -0.303581719839E+02
|
||
|
-0.320479553601E+02 -0.337470052026E+02 -0.354560028339E+02 -0.371755927213E+02 -0.389063828367E+02
|
||
|
-0.406489423154E+02 -0.424038026248E+02 -0.441714547944E+02 -0.459523499226E+02 -0.477468967532E+02
|
||
|
-0.495554615946E+02 -0.513783666019E+02 -0.532158884418E+02 -0.550682567053E+02 -0.569356525081E+02
|
||
|
-0.588182061435E+02 -0.607159953424E+02 -0.626290426878E+02 -0.645573127298E+02 -0.665007089407E+02
|
||
|
-0.684590698280E+02 -0.704321646466E+02 -0.724196883613E+02 -0.744212554992E+02 -0.764363933186E+02
|
||
|
-0.784645334156E+02 -0.805050019936E+02 -0.825570085711E+02 -0.846196325137E+02 -0.866918074323E+02
|
||
|
-0.887723031587E+02 -0.908597047747E+02 -0.929523888258E+02 -0.950484962866E+02 -0.971459025767E+02
|
||
|
-0.992421846684E+02 -0.101334586041E+03 -0.103419980548E+03 -0.105494836937E+03 -0.107555186638E+03
|
||
|
-0.109596598432E+03 -0.111614165019E+03 -0.113602507607E+03 -0.115555806471E+03 -0.117467866629E+03
|
||
|
-0.119332229102E+03 -0.121142339099E+03 -0.122891782761E+03 -0.124574603743E+03 -0.126185709603E+03
|
||
|
-0.127721376184E+03 -0.129179849459E+03 -0.130562037734E+03 -0.131872250035E+03 -0.133118881566E+03
|
||
|
-0.134314825448E+03 -0.135477193361E+03 -0.136625660077E+03 -0.137778519010E+03 -0.138945648784E+03
|
||
|
-0.140118549895E+03 -0.141259818189E+03 -0.142297364384E+03 -0.143130166847E+03 -0.143649392398E+03
|
||
|
-0.143770897058E+03 -0.143466650644E+03 -0.142779438656E+03 -0.141810640105E+03 -0.140684649146E+03
|
||
|
-0.139508468629E+03 -0.138347630249E+03 -0.137225672082E+03 -0.136138333488E+03 -0.135069530202E+03
|
||
|
-0.134002012507E+03 -0.132922043453E+03 -0.131820226047E+03 -0.130690627012E+03 -0.129529519310E+03
|
||
|
-0.128334338705E+03 -0.127103016988E+03 -0.125833658669E+03 -0.124524453829E+03 -0.123173726349E+03
|
||
|
-0.121780033193E+03 -0.120342269538E+03 -0.118859752501E+03 -0.117332272995E+03 -0.115760124914E+03
|
||
|
-0.114144101355E+03 -0.112485483290E+03 -0.110786005404E+03 -0.109047822227E+03 -0.107273460951E+03
|
||
|
-0.105465777476E+03 -0.103627905378E+03 -0.101763207742E+03 -0.998752258631E+02 -0.979676298105E+02
|
||
|
-0.960441691600E+02 -0.941086225348E+02 -0.921647516109E+02 -0.902162521482E+02 -0.882667076467E+02
|
||
|
-0.863195482087E+02 -0.843780048830E+02 -0.824450744932E+02 -0.805234851994E+02 -0.786156712732E+02
|
||
|
-0.767237567928E+02 -0.748495516535E+02 -0.729945622392E+02 -0.711600178293E+02 -0.693469132041E+02
|
||
|
-0.675560653957E+02 -0.657881807429E+02 -0.640439269470E+02 -0.623240028446E+02 -0.606291995903E+02
|
||
|
-0.589604468790E+02 -0.573188399977E+02 -0.557056454730E+02 -0.541222852492E+02 -0.525703011285E+02
|
||
|
-0.510513025120E+02 -0.495669012821E+02 -0.481186381574E+02 -0.467079052121E+02 -0.453358696671E+02
|
||
|
-0.440034044777E+02 -0.427110315137E+02 -0.414588828986E+02 -0.402466850424E+02 -0.390737679271E+02
|
||
|
-0.379390994445E+02 -0.368413415363E+02 -0.357789222033E+02 -0.347501157601E+02 -0.337531233439E+02
|
||
|
-0.327861466199E+02 -0.318474495005E+02 -0.309354049914E+02 -0.300485264856E+02 -0.291854845899E+02
|
||
|
-0.283451117204E+02 -0.275263972501E+02 -0.267284760438E+02 -0.259506129403E+02 -0.251921852815E+02
|
||
|
-0.244526650785E+02 -0.237316019165E+02 -0.230286072881E+02 -0.223433407176E+02 -0.216754978054E+02
|
||
|
-0.210248001598E+02 -0.203909870876E+02 -0.197738088642E+02 -0.191730213824E+02 -0.185883819864E+02
|
||
|
-0.180196463043E+02 -0.174665659194E+02
|
||
|
core charge-density
|
||
|
0.625549834773E-05 0.666800503046E-05 0.710770693649E-05 0.757639627830E-05 0.807598331150E-05
|
||
|
0.860850410282E-05 0.917612880907E-05 0.978117049962E-05 0.104260945586E-04 0.111135287054E-04
|
||
|
0.118462736723E-04 0.126273145842E-04 0.134598330854E-04 0.143472202623E-04 0.152930904146E-04
|
||
|
0.163012957304E-04 0.173759419244E-04 0.185214049015E-04 0.197423485145E-04 0.210437434859E-04
|
||
|
0.224308875702E-04 0.239094270387E-04 0.254853795725E-04 0.271651586550E-04 0.289555995636E-04
|
||
|
0.308639870632E-04 0.328980849139E-04 0.350661673100E-04 0.373770523778E-04 0.398401378645E-04
|
||
|
0.424654391625E-04 0.452636298208E-04 0.482460847049E-04 0.514249259776E-04 0.548130720860E-04
|
||
|
0.584242899460E-04 0.622732505377E-04 0.663755881274E-04 0.707479633574E-04 0.754081304474E-04
|
||
|
0.803750087831E-04 0.856687591678E-04 0.913108650448E-04 0.973242190074E-04 0.103733214946E-03
|
||
|
0.110563846188E-03 0.117843810020E-03 0.125602619014E-03 0.133871719579E-03 0.142684618218E-03
|
||
|
0.152077015982E-03 0.162086951644E-03 0.172754954166E-03 0.184124205036E-03 0.196240711132E-03
|
||
|
0.209153488770E-03 0.222914759660E-03 0.237580159532E-03 0.253208960236E-03 0.269864306193E-03
|
||
|
0.287613466085E-03 0.306528100788E-03 0.326684548546E-03 0.348164128521E-03 0.371053463844E-03
|
||
|
0.395444825445E-03 0.421436497940E-03 0.449133168998E-03 0.478646343650E-03 0.510094785131E-03
|
||
|
0.543604983902E-03 0.579311656655E-03 0.617358277124E-03 0.657897640797E-03 0.701092465490E-03
|
||
|
0.747116030214E-03 0.796152854521E-03 0.848399421024E-03 0.904064943601E-03 0.963372184282E-03
|
||
|
0.102655832163E-02 0.109387587398E-02 0.116559368076E-02 0.124199794551E-02 0.132339334439E-02
|
||
|
0.141010420411E-02 0.150247575353E-02 0.160087545343E-02 0.170569440904E-02 0.181734887053E-02
|
||
|
0.193628182645E-02 0.206296469593E-02 0.219789912541E-02 0.234161889602E-02 0.249469194832E-02
|
||
|
0.265772253114E-02 0.283135348191E-02 0.301626864601E-02 0.321319544336E-02 0.342290759058E-02
|
||
|
0.364622798782E-02 0.388403177946E-02 0.413724959877E-02 0.440687100673E-02 0.469394813594E-02
|
||
|
0.499959955108E-02 0.532501433790E-02 0.567145643310E-02 0.604026920857E-02 0.643288032324E-02
|
||
|
0.685080685741E-02 0.729566074403E-02 0.776915451294E-02 0.827310736395E-02 0.880945158622E-02
|
||
|
0.938023934073E-02 0.998764982515E-02 0.106339968389E-01 0.113217367688E-01 0.120534770154E-01
|
||
|
0.128319848807E-01 0.136601969386E-01 0.145412289107E-01 0.154783860700E-01 0.164751741952E-01
|
||
|
0.175353110992E-01 0.186627387576E-01 0.198616360585E-01 0.211364322012E-01 0.224918207665E-01
|
||
|
0.239327744849E-01 0.254645607262E-01 0.270927577354E-01 0.288232716393E-01 0.306623542463E-01
|
||
|
0.326166216629E-01 0.346930737474E-01 0.368991144208E-01 0.392425728547E-01 0.417317255497E-01
|
||
|
0.443753193214E-01 0.471825952013E-01 0.501633132638E-01 0.533277783799E-01 0.566868668986E-01
|
||
|
0.602520542493E-01 0.640354434545E-01 0.680497945329E-01 0.723085547678E-01 0.768258898099E-01
|
||
|
0.816167155651E-01 0.866967308197E-01 0.920824505353E-01 0.977912397351E-01 0.103841347892E+00
|
||
|
0.110251943712E+00 0.117043150181E+00 0.124236079746E+00 0.131852869454E+00 0.139916715877E+00
|
||
|
0.148451909595E+00 0.157483869030E+00 0.167039173333E+00 0.177145594063E+00 0.187832125314E+00
|
||
|
0.199129011925E+00 0.211067775390E+00 0.223681237018E+00 0.237003537861E+00 0.251070154895E+00
|
||
|
0.265917912862E+00 0.281584991174E+00 0.298110925183E+00 0.315536601090E+00 0.333904243727E+00
|
||
|
0.353257396336E+00 0.373640891470E+00 0.395100812028E+00 0.417684441421E+00 0.441440201756E+00
|
||
|
0.466417578917E+00 0.492667033311E+00 0.520239895026E+00 0.549188242087E+00 0.579564760420E+00
|
||
|
0.611422584151E+00 0.644815114720E+00 0.679795817435E+00 0.716417993867E+00 0.754734528645E+00
|
||
|
0.794797609172E+00 0.836658416756E+00 0.880366787762E+00 0.925970843486E+00 0.973516587417E+00
|
||
|
0.102304746886E+01 0.107460391186E+01 0.112822280879E+01 0.118393697791E+01 0.124177458474E+01
|
||
|
0.130175852731E+01 0.136390578560E+01 0.142822673623E+01 0.149472443356E+01 0.156339385909E+01
|
||
|
0.163422114178E+01 0.170718275227E+01 0.178224467496E+01 0.185936156253E+01 0.193847587857E+01
|
||
|
0.201951703446E+01 0.210240052821E+01 0.218702709338E+01 0.227328186773E+01 0.236103359206E+01
|
||
|
0.245013385084E+01 0.254041636756E+01 0.263169636840E+01 0.272377002939E+01 0.281641402277E+01
|
||
|
0.290938517951E+01 0.300242028543E+01 0.309523602946E+01 0.318752912236E+01 0.327897660526E+01
|
||
|
0.336923636659E+01 0.345794788610E+01 0.354473322391E+01 0.362919827117E+01 0.371093427773E+01
|
||
|
0.378951966995E+01 0.386452216946E+01 0.393550122044E+01 0.400201072951E+01 0.406360211798E+01
|
||
|
0.411982768169E+01 0.417024424784E+01 0.421441711293E+01 0.425192423895E+01 0.428236067847E+01
|
||
|
0.430534319207E+01 0.432051501388E+01 0.432755071371E+01 0.432616109652E+01 0.431609807282E+01
|
||
|
0.429715942646E+01 0.426919340030E+01 0.423210301446E+01 0.418585002797E+01 0.413045845132E+01
|
||
|
0.406601751648E+01 0.399268401161E+01 0.391068389027E+01 0.382031307065E+01 0.372193734783E+01
|
||
|
0.361599135309E+01 0.350297650770E+01 0.338345793507E+01 0.325806031466E+01 0.312746268272E+01
|
||
|
0.299239220956E+01 0.285361700894E+01 0.271193806267E+01 0.256818037128E+01 0.242318346850E+01
|
||
|
0.227779146284E+01 0.213284279210E+01 0.198915989043E+01 0.184753899016E+01 0.170874026947E+01
|
||
|
0.157347856300E+01 0.144241483035E+01 0.131614854561E+01 0.119521112339E+01 0.108006043580E+01
|
||
|
0.971076416602E+00 0.868557720278E+00 0.772719446284E+00 0.683692073177E+00 0.601521935215E+00
|
||
|
0.526173696225E+00 0.457535189698E+00 0.395424650817E+00 0.339599878315E+00 0.289768462786E+00
|
||
|
0.245598123336E+00 0.206726459547E+00 0.172769863026E+00 0.143331658906E+00 0.118009628923E+00
|
||
|
0.964029804771E-01 0.781187116277E-01 0.627772597360E-01 0.500173177769E-01 0.394997340760E-01
|
||
|
0.309104559082E-01 0.239625220484E-01 0.183971483157E-01 0.139839815670E-01 0.105206212258E-01
|
||
|
0.783152351440E-02 0.576641246844E-02 0.419832404102E-02 0.302140581083E-02 0.214858586519E-02
|
||
|
0.150921142073E-02 0.104674189060E-02 0.716563679615E-03 0.483976210018E-03 0.322381630461E-03
|
||
|
0.211695213144E-03 0.136980223621E-03 0.873004188041E-04 0.547754095664E-04 0.338188198116E-04
|
||
|
0.205362242348E-04 0.122588806356E-04 0.718986064052E-05 0.414088624546E-05 0.234058880470E-05
|
||
|
0.129766796585E-05 0.705257746188E-06 0.375498683592E-06 0.195734189800E-06 0.998239738991E-07
|
||
|
0.497754873703E-07 0.242494266994E-07 0.115338788408E-07 0.535191862631E-08 0.242083588431E-08
|
||
|
0.106657986918E-08 0.457333094816E-09 0.190682259329E-09 0.772398275178E-10 0.303688154904E-10
|
||
|
0.115786767161E-10 0.427670909637E-11 0.152876609799E-11 0.528322171385E-12 0.176324824774E-12
|
||
|
0.567674173964E-13 0.176097553853E-13 0.525721959721E-14 0.150858460345E-14 0.415563715107E-15
|
||
|
0.109744952184E-15 0.277469656242E-16 0.670680098186E-17 0.154756453186E-17 0.340376048323E-18
|
||
|
0.712472447356E-19 0.141702017331E-19 0.267337816327E-20 0.477612433480E-21 0.806589344905E-22
|
||
|
0.128527880519E-22 0.192881896028E-23 0.272075946858E-24 0.360016081062E-25 0.445951382854E-26
|
||
|
0.516011199631E-27 0.556518007526E-28 0.558161154107E-29 0.519374207451E-30 0.447289631952E-31
|
||
|
0.355629990309E-32 0.260367891573E-33 0.175064565194E-34 0.107804238351E-35 0.606270898466E-37
|
||
|
0.310468696030E-38 0.144336180909E-39 0.607271593111E-41 0.230484607408E-42 0.786517690571E-44
|
||
|
0.240488010869E-45 0.656539175165E-47
|
||
|
kinetic energy-density
|
||
|
0.132175359298E+00 0.133934922334E+00 0.135761433132E+00 0.137657992670E+00 0.139627696619E+00
|
||
|
0.141673927295E+00 0.143799500496E+00 0.146008676819E+00 0.148304768593E+00 0.150692037550E+00
|
||
|
0.153174592370E+00 0.155756926490E+00 0.158443724597E+00 0.161239998599E+00 0.164150979471E+00
|
||
|
0.167182160118E+00 0.170339406432E+00 0.173628825911E+00 0.177056890152E+00 0.180630402417E+00
|
||
|
0.184356546754E+00 0.188242882397E+00 0.192297380534E+00 0.196528442009E+00 0.200944923915E+00
|
||
|
0.205556162290E+00 0.210372007069E+00 0.215402842558E+00 0.220659635012E+00 0.226153936007E+00
|
||
|
0.231897972674E+00 0.237904604375E+00 0.244187471325E+00 0.250760917296E+00 0.257640162069E+00
|
||
|
0.264841167874E+00 0.272381153950E+00 0.280277663180E+00 0.288549849880E+00 0.297217874330E+00
|
||
|
0.306302839392E+00 0.315827114105E+00 0.325814512040E+00 0.336290191996E+00 0.347280782458E+00
|
||
|
0.358814325037E+00 0.370920696609E+00 0.383631528596E+00 0.396980261001E+00 0.411002406416E+00
|
||
|
0.425735441776E+00 0.441219103243E+00 0.457495823050E+00 0.474609969929E+00 0.492609215294E+00
|
||
|
0.511543740684E+00 0.531466742719E+00 0.552434833566E+00 0.574507969902E+00 0.597749679366E+00
|
||
|
0.622227413642E+00 0.648012684333E+00 0.675181462413E+00 0.703814274030E+00 0.733996641234E+00
|
||
|
0.765819261046E+00 0.799378432777E+00 0.834776340370E+00 0.872121544375E+00 0.911529213993E+00
|
||
|
0.953121528021E+00 0.997028613042E+00 0.104338807052E+01 0.109234610786E+01 0.114405866183E+01
|
||
|
0.119869068044E+01 0.125641724924E+01 0.131742479440E+01 0.138191086663E+01 0.145008602723E+01
|
||
|
0.152217267487E+01 0.159840841209E+01 0.167904466533E+01 0.176434892232E+01 0.185460533706E+01
|
||
|
0.195011564886E+01 0.205120035997E+01 0.215820007462E+01 0.227147662631E+01 0.239141423813E+01
|
||
|
0.251842134620E+01 0.265293152534E+01 0.279540559147E+01 0.294633308413E+01 0.310623394117E+01
|
||
|
0.327566044774E+01 0.345519942483E+01 0.364547413422E+01 0.384714651844E+01 0.406091980636E+01
|
||
|
0.428754092445E+01 0.452780303528E+01 0.478254865784E+01 0.505267250232E+01 0.533912470905E+01
|
||
|
0.564291416100E+01 0.596511230625E+01 0.630685638674E+01 0.666935438494E+01 0.705388826939E+01
|
||
|
0.746181864518E+01 0.789459086696E+01 0.835373750037E+01 0.884088626747E+01 0.935776370686E+01
|
||
|
0.990620206875E+01 0.104881452327E+02 0.111056553832E+02 0.117609200093E+02 0.124562589936E+02
|
||
|
0.131941322519E+02 0.139771490721E+02 0.148080742975E+02 0.156898399262E+02 0.166255529959E+02
|
||
|
0.176185058382E+02 0.186721871477E+02 0.197902923809E+02 0.209767356465E+02 0.222356617535E+02
|
||
|
0.235714589633E+02 0.249887727054E+02 0.264925187028E+02 0.280878986315E+02 0.297804145496E+02
|
||
|
0.315758858195E+02 0.334804646744E+02 0.355006548639E+02 0.376433285913E+02 0.399157465039E+02
|
||
|
0.423255765878E+02 0.448809147558E+02 0.475903062309E+02 0.504627671938E+02 0.535078069378E+02
|
||
|
0.567354538836E+02 0.601562740015E+02 0.637814033508E+02 0.676225669762E+02 0.716921078905E+02
|
||
|
0.760030148055E+02 0.805689455143E+02 0.854042611492E+02 0.905240453913E+02 0.959441427845E+02
|
||
|
0.101681177977E+03 0.107752592371E+03 0.114176666596E+03 0.120972552773E+03 0.128160301057E+03
|
||
|
0.135760886729E+03 0.143796237719E+03 0.152289259589E+03 0.161263859378E+03 0.170744968292E+03
|
||
|
0.180758563951E+03 0.191331684769E+03 0.202492449472E+03 0.214270066618E+03 0.226694844481E+03
|
||
|
0.239798194400E+03 0.253612631141E+03 0.268171766650E+03 0.283510298141E+03 0.299663989133E+03
|
||
|
0.316669644200E+03 0.334565073015E+03 0.353389047560E+03 0.373181248382E+03 0.393982198281E+03
|
||
|
0.415833186955E+03 0.438776179997E+03 0.462853713912E+03 0.488108777503E+03 0.514584674687E+03
|
||
|
0.542324868355E+03 0.571372814773E+03 0.601771757830E+03 0.633564525793E+03 0.666793288738E+03
|
||
|
0.701499294335E+03 0.737722589266E+03 0.775501699491E+03 0.814873296137E+03 0.855871822522E+03
|
||
|
0.898529107918E+03 0.942873929636E+03 0.988931570548E+03 0.103672333103E+04 0.108626601193E+04
|
||
|
0.113757137908E+04 0.119064559064E+04 0.124548860113E+04 0.130209354210E+04 0.136044607669E+04
|
||
|
0.142052374137E+04 0.148229526392E+04 0.154571987820E+04 0.161074662308E+04 0.167731364973E+04
|
||
|
0.174534752686E+04 0.181476256712E+04 0.188546016237E+04 0.195732816583E+04 0.203024029704E+04
|
||
|
0.210405561400E+04 0.217861803447E+04 0.225375594384E+04 0.232928188291E+04 0.240499234224E+04
|
||
|
0.248066767364E+04 0.255607213027E+04 0.263095405373E+04 0.270504622266E+04 0.277806637569E+04
|
||
|
0.284971792232E+04 0.291969085993E+04 0.298766289826E+04 0.305330081418E+04 0.311626203317E+04
|
||
|
0.317619645553E+04 0.323274851735E+04 0.328555949697E+04 0.333427005860E+04 0.337852302635E+04
|
||
|
0.341796637497E+04 0.345225642472E+04 0.348106121747E+04 0.350406404142E+04 0.352096708619E+04
|
||
|
0.353149517385E+04 0.353539954144E+04 0.353246161090E+04 0.352249670885E+04 0.350535766831E+04
|
||
|
0.348093826265E+04 0.344917639893E+04 0.341005701605E+04 0.336361461286E+04 0.330993534594E+04
|
||
|
0.324915863230E+04 0.318147819044E+04 0.310714246912E+04 0.302645440370E+04 0.293977046042E+04
|
||
|
0.284749892621E+04 0.275009742069E+04 0.264806960925E+04 0.254196111851E+04 0.243235466160E+04
|
||
|
0.231986440322E+04 0.220512961015E+04 0.208880765323E+04 0.197156645037E+04 0.185407646003E+04
|
||
|
0.173700235755E+04 0.162099460999E+04 0.150668096519E+04 0.139465830267E+04 0.128548488438E+04
|
||
|
0.117967334177E+04 0.107768467666E+04 0.979923602975E+03 0.886735570052E+03 0.798405742029E+03
|
||
|
0.715159970065E+03 0.637167311145E+03 0.564542992801E+03 0.497350257609E+03 0.435599805156E+03
|
||
|
0.379246857249E+03 0.328187666872E+03 0.282258420112E+03 0.241239057774E+03 0.204862611282E+03
|
||
|
0.172828208135E+03 0.144814513272E+03 0.120490951017E+03 0.995258554277E+02 0.815921604920E+02
|
||
|
0.663716392462E+02 0.535583898124E+02 0.428618420926E+02 0.340093008916E+02 0.267479560236E+02
|
||
|
0.208462992017E+02 0.160949283404E+02 0.123067614073E+02 0.931671333272E+01 0.698090990260E+01
|
||
|
0.517552367589E+01 0.379532124129E+01 0.275201014992E+01 0.197246888631E+01 0.139693522757E+01
|
||
|
0.977217983846E+00 0.674985359165E+00 0.460170692067E+00 0.309524006907E+00 0.205326234266E+00
|
||
|
0.134272727265E+00 0.865241481836E-01 0.549161363228E-01 0.343144071897E-01 0.210989668890E-01
|
||
|
0.127597319673E-01 0.758574121990E-02 0.443101968700E-02 0.254169790688E-02 0.143092285464E-02
|
||
|
0.790186711125E-03 0.427764798256E-03 0.226868357364E-03 0.117803708430E-03 0.598512600186E-04
|
||
|
0.297317424871E-04 0.144309058083E-04 0.683874100383E-05 0.316184581695E-05 0.142511201228E-05
|
||
|
0.625679306603E-06 0.267355006762E-06 0.111092838351E-06 0.448497786641E-07 0.175757437694E-07
|
||
|
0.667937531847E-08 0.245924970219E-08 0.876346295166E-09 0.301927106320E-09 0.100464605997E-09
|
||
|
0.322495741201E-10 0.997546854204E-11 0.296976514779E-11 0.849871705228E-12 0.233491659841E-12
|
||
|
0.615036796645E-13 0.155112822825E-13 0.374020991069E-14 0.861013369860E-15 0.188943581705E-15
|
||
|
0.394624170262E-16 0.783183070142E-17 0.147450788513E-17 0.262898472980E-18 0.443113920182E-19
|
||
|
0.704748096600E-20 0.105565824354E-20 0.148640629620E-21 0.196337661526E-22 0.242784564648E-23
|
||
|
0.280453473054E-24 0.301970272345E-25 0.302372214589E-26 0.280913690698E-27 0.241548025437E-28
|
||
|
0.191754674412E-29 0.140177265917E-30 0.941107945358E-32 0.578675660952E-33 0.324960095534E-34
|
||
|
0.166168703665E-35 0.771395585826E-37 0.324082732323E-38 0.122824240942E-39 0.418519451757E-41
|
||
|
0.127778710765E-42 0.348315951701E-44
|
||
|
mkinetic energy-density pseudized
|
||
|
0.334210080475E-07 0.356298826206E-07 0.379847470105E-07 0.404952500339E-07 0.431716782210E-07
|
||
|
0.460249979636E-07 0.490669004484E-07 0.523098495607E-07 0.557671329536E-07 0.594529164932E-07
|
||
|
0.633823023015E-07 0.675713906359E-07 0.720373458583E-07 0.767984667641E-07 0.818742615602E-07
|
||
|
0.872855277972E-07 0.930544375856E-07 0.992046284436E-07 0.105761300150E-06 0.112751317995E-06
|
||
|
0.120203322863E-06 0.128147848581E-06 0.136617447029E-06 0.145646821520E-06 0.155272968990E-06
|
||
|
0.165535331591E-06 0.176475958301E-06 0.188139677214E-06 0.200574279222E-06 0.213830713827E-06
|
||
|
0.227963297908E-06 0.243029938272E-06 0.259092368926E-06 0.276216404024E-06 0.294472207532E-06
|
||
|
0.313934580721E-06 0.334683268652E-06 0.356803286925E-06 0.380385270024E-06 0.405525842678E-06
|
||
|
0.432328015771E-06 0.460901608420E-06 0.491363697943E-06 0.523839099574E-06 0.558460877876E-06
|
||
|
0.595370891961E-06 0.634720376740E-06 0.676670562590E-06 0.721393335978E-06 0.769071943747E-06
|
||
|
0.819901743945E-06 0.874091006286E-06 0.931861765505E-06 0.993450731124E-06 0.105911025734E-05
|
||
|
0.112910937700E-05 0.120373490396E-05 0.128329260825E-05 0.136810846892E-05 0.145853000970E-05
|
||
|
0.155492772295E-05 0.165769658770E-05 0.176725768801E-05 0.188405993828E-05 0.200858192270E-05
|
||
|
0.214133385607E-05 0.228285967442E-05 0.243373926365E-05 0.259459083558E-05 0.276607346090E-05
|
||
|
0.294888976969E-05 0.314378883029E-05 0.335156921847E-05 0.357308228952E-05 0.380923566645E-05
|
||
|
0.406099695888E-05 0.432939772761E-05 0.461553771124E-05 0.492058933216E-05 0.524580250031E-05
|
||
|
0.559250973439E-05 0.596213162162E-05 0.635618263825E-05 0.677627735479E-05 0.722413705133E-05
|
||
|
0.770159677004E-05 0.821061283380E-05 0.875327086173E-05 0.933179431437E-05 0.994855360375E-05
|
||
|
0.106060758054E-04 0.113070550121E-04 0.120543633723E-04 0.128510628578E-04 0.137004178085E-04
|
||
|
0.146059083075E-04 0.155712444390E-04 0.166003814888E-04 0.176975361496E-04 0.188672037968E-04
|
||
|
0.201141769059E-04 0.214435646878E-04 0.228608140206E-04 0.243717317653E-04 0.259825085557E-04
|
||
|
0.276997441612E-04 0.295304745246E-04 0.314822005869E-04 0.335629190171E-04 0.357811549721E-04
|
||
|
0.381459970220E-04 0.406671343819E-04 0.433548966050E-04 0.462202958978E-04 0.492750722309E-04
|
||
|
0.525317414313E-04 0.560036464508E-04 0.597050120226E-04 0.636510029287E-04 0.678577861163E-04
|
||
|
0.723425969184E-04 0.771238096484E-04 0.822210128583E-04 0.876550895687E-04 0.934483027978E-04
|
||
|
0.996243867394E-04 0.106208643964E-03 0.113228049041E-03 0.120711358997E-03 0.128689231084E-03
|
||
|
0.137194348304E-03 0.146261553244E-03 0.155927990729E-03 0.166233259908E-03 0.177219576370E-03
|
||
|
0.188931944972E-03 0.201418344065E-03 0.214729921891E-03 0.228921205932E-03 0.244050326078E-03
|
||
|
0.260179252527E-03 0.277374049373E-03 0.295705144926E-03 0.315247619868E-03 0.336081514407E-03
|
||
|
0.358292155693E-03 0.381970506822E-03 0.407213538840E-03 0.434124627285E-03 0.462813974843E-03
|
||
|
0.493399061868E-03 0.526005126574E-03 0.560765676855E-03 0.597823035812E-03 0.637328923186E-03
|
||
|
0.679445075065E-03 0.724343904361E-03 0.772209204734E-03 0.823236900801E-03 0.877635847660E-03
|
||
|
0.935628682954E-03 0.997452734893E-03 0.106336098991E-02 0.113362312381E-02 0.120852660055E-02
|
||
|
0.128837784311E-02 0.137350348101E-02 0.146425167962E-02 0.156099355640E-02 0.166412468981E-02
|
||
|
0.177406672687E-02 0.189126909568E-02 0.201621082972E-02 0.214940251111E-02 0.229138834051E-02
|
||
|
0.244274834164E-02 0.260410070926E-02 0.277610430960E-02 0.295946134293E-02 0.315492017872E-02
|
||
|
0.336327837423E-02 0.358538588807E-02 0.382214850112E-02 0.407453145769E-02 0.434356334090E-02
|
||
|
0.463034019651E-02 0.493602992104E-02 0.526187693013E-02 0.560920712453E-02 0.597943317189E-02
|
||
|
0.637406012345E-02 0.679469138594E-02 0.724303506994E-02 0.772091073704E-02 0.823025656950E-02
|
||
|
0.877313698691E-02 0.935175073607E-02 0.996843948089E-02 0.106256969210E-01 0.113261784684E-01
|
||
|
0.120727115136E-01 0.128683063121E-01 0.137161675262E-01 0.146197064553E-01 0.155825539903E-01
|
||
|
0.166085743299E-01 0.177018794942E-01 0.188668446755E-01 0.201081244643E-01 0.214306699899E-01
|
||
|
0.228397470138E-01 0.243409550168E-01 0.259402473153E-01 0.276439522468E-01 0.294587954584E-01
|
||
|
0.313919233308E-01 0.334509275709E-01 0.356438709954E-01 0.379793145294E-01 0.404663454335E-01
|
||
|
0.431146067678E-01 0.459343280897E-01 0.489363573748E-01 0.521321941327E-01 0.555340236784E-01
|
||
|
0.591547524986E-01 0.630080446325E-01 0.671083589601E-01 0.714709872651E-01 0.761120929019E-01
|
||
|
0.810487498599E-01 0.862989819744E-01 0.918818019791E-01 0.978172500400E-01 0.104126431341E+00
|
||
|
0.110831552219E+00 0.117955954250E+00 0.125524145609E+00 0.133561828893E+00 0.142095924486E+00
|
||
|
0.151154588405E+00 0.160767223399E+00 0.170964481909E+00 0.181778259289E+00 0.193241675483E+00
|
||
|
0.205389043106E+00 0.218255819604E+00 0.231878540894E+00 0.246294733548E+00 0.261542802248E+00
|
||
|
0.277661888861E+00 0.294691699072E+00 0.312672292104E+00 0.331643828554E+00 0.351646270954E+00
|
||
|
0.372719031124E+00 0.394900557899E+00 0.418227858329E+00 0.442735944921E+00 0.468457201095E+00
|
||
|
0.495420656567E+00 0.523651164113E+00 0.553168468922E+00 0.583986161733E+00 0.616110507118E+00
|
||
|
0.649539138720E+00 0.684259614050E+00 0.720247822696E+00 0.757466243561E+00 0.795862049219E+00
|
||
|
0.835365058680E+00 0.875885544136E+00 0.917311902523E+00 0.959508209494E+00 0.100231168154E+01
|
||
|
0.104553008204E+01 0.108893911892E+01 0.113227989576E+01 0.117525649483E+01 0.121753378937E+01
|
||
|
0.125873560436E+01 0.129844336912E+01 0.133619543170E+01 0.137148723362E+01 0.140377257315E+01
|
||
|
0.143246621558E+01 0.145694813685E+01 0.147656971200E+01 0.149066217789E+01 0.149854770678E+01
|
||
|
0.149955341954E+01 0.149302863709E+01 0.147836560969E+01 0.145502386620E+01 0.142255818005E+01
|
||
|
0.138064994345E+01 0.132914146481E+01 0.126807234492E+01 0.119771663421E+01 0.111861892019E+01
|
||
|
0.103162683893E+01 0.937916755622E+00 0.839008538024E+00 0.736764493797E+00 0.633366724315E+00
|
||
|
0.531266462252E+00 0.433098547267E+00 0.341554238892E+00 0.259206305370E+00 0.188282049278E+00
|
||
|
0.130382965603E+00 0.861544283292E-01 0.549155045124E-01 0.343144071897E-01 0.210989668890E-01
|
||
|
0.127597319673E-01 0.758574121990E-02 0.443101968700E-02 0.254169790688E-02 0.143092285464E-02
|
||
|
0.790186711125E-03 0.427764798256E-03 0.226868357364E-03 0.117803708430E-03 0.598512600186E-04
|
||
|
0.297317424871E-04 0.144309058083E-04 0.683874100383E-05 0.316184581695E-05 0.142511201228E-05
|
||
|
0.625679306603E-06 0.267355006762E-06 0.111092838351E-06 0.448497786641E-07 0.175757437694E-07
|
||
|
0.667937531847E-08 0.245924970219E-08 0.876346295166E-09 0.301927106320E-09 0.100464605997E-09
|
||
|
0.322495741201E-10 0.997546854204E-11 0.296976514779E-11 0.849871705228E-12 0.233491659841E-12
|
||
|
0.615036796645E-13 0.155112822825E-13 0.374020991069E-14 0.861013369860E-15 0.188943581705E-15
|
||
|
0.394624170262E-16 0.783183070142E-17 0.147450788513E-17 0.262898472980E-18 0.443113920182E-19
|
||
|
0.704748096600E-20 0.105565824354E-20 0.148640629620E-21 0.196337661526E-22 0.242784564648E-23
|
||
|
0.280453473054E-24 0.301970272345E-25 0.302372214589E-26 0.280913690698E-27 0.241548025437E-28
|
||
|
0.191754674412E-29 0.140177265917E-30 0.941107945358E-32 0.578675660952E-33 0.324960095534E-34
|
||
|
0.166168703665E-35 0.771395585826E-37 0.324082732323E-38 0.122824240942E-39 0.418519451757E-41
|
||
|
0.127778710765E-42 0.348315951701E-44
|
||
|
local pseudopotential core
|
||
|
-0.235270267363E+03 -0.235271097422E+03 -0.235271901339E+03 -0.235272679939E+03 -0.235273434018E+03
|
||
|
-0.235274164350E+03 -0.235274871681E+03 -0.235275556736E+03 -0.235276220218E+03 -0.235276862804E+03
|
||
|
-0.235277485154E+03 -0.235278087905E+03 -0.235278671673E+03 -0.235279237058E+03 -0.235279784637E+03
|
||
|
-0.235280314972E+03 -0.235280828606E+03 -0.235281326065E+03 -0.235281807858E+03 -0.235282274479E+03
|
||
|
-0.235282726405E+03 -0.235283164100E+03 -0.235283588011E+03 -0.235283998574E+03 -0.235284396208E+03
|
||
|
-0.235284781321E+03 -0.235285154307E+03 -0.235285515548E+03 -0.235285865414E+03 -0.235286204264E+03
|
||
|
-0.235286532444E+03 -0.235286850292E+03 -0.235287158131E+03 -0.235287456278E+03 -0.235287745039E+03
|
||
|
-0.235288024708E+03 -0.235288295572E+03 -0.235288557910E+03 -0.235288811989E+03 -0.235289058070E+03
|
||
|
-0.235289296405E+03 -0.235289527239E+03 -0.235289750807E+03 -0.235289967340E+03 -0.235290177058E+03
|
||
|
-0.235290380178E+03 -0.235290576906E+03 -0.235290767445E+03 -0.235290951990E+03 -0.235291130730E+03
|
||
|
-0.235291303849E+03 -0.235291471524E+03 -0.235291633927E+03 -0.235291791225E+03 -0.235291943579E+03
|
||
|
-0.235292091146E+03 -0.235292234076E+03 -0.235292372517E+03 -0.235292506611E+03 -0.235292636496E+03
|
||
|
-0.235292762305E+03 -0.235292884167E+03 -0.235293002208E+03 -0.235293116549E+03 -0.235293227308E+03
|
||
|
-0.235293334599E+03 -0.235293438533E+03 -0.235293539216E+03 -0.235293636753E+03 -0.235293731244E+03
|
||
|
-0.235293822787E+03 -0.235293911477E+03 -0.235293997405E+03 -0.235294080660E+03 -0.235294161329E+03
|
||
|
-0.235294239496E+03 -0.235294315242E+03 -0.235294388646E+03 -0.235294459784E+03 -0.235294528732E+03
|
||
|
-0.235294595560E+03 -0.235294660340E+03 -0.235294723140E+03 -0.235294784026E+03 -0.235294843062E+03
|
||
|
-0.235294900311E+03 -0.235294955835E+03 -0.235295009692E+03 -0.235295061941E+03 -0.235295112638E+03
|
||
|
-0.235295161839E+03 -0.235295209596E+03 -0.235295255962E+03 -0.235295300990E+03 -0.235295344728E+03
|
||
|
-0.235295387226E+03 -0.235295428532E+03 -0.235295468693E+03 -0.235295507757E+03 -0.235295545767E+03
|
||
|
-0.235295582770E+03 -0.235295618809E+03 -0.235295653928E+03 -0.235295688170E+03 -0.235295721579E+03
|
||
|
-0.235295754195E+03 -0.235295786063E+03 -0.235295817223E+03 -0.235295847718E+03 -0.235295877588E+03
|
||
|
-0.235295906877E+03 -0.235295935626E+03 -0.235295963878E+03 -0.235295991675E+03 -0.235296019060E+03
|
||
|
-0.235296046076E+03 -0.235296072769E+03 -0.235296099183E+03 -0.235296125363E+03 -0.235296151358E+03
|
||
|
-0.235296177214E+03 -0.235296202982E+03 -0.235296228711E+03 -0.235296254455E+03 -0.235296280267E+03
|
||
|
-0.235296306204E+03 -0.235296332322E+03 -0.235296358684E+03 -0.235296385350E+03 -0.235296412387E+03
|
||
|
-0.235296439863E+03 -0.235296467849E+03 -0.235296496421E+03 -0.235296525656E+03 -0.235296555637E+03
|
||
|
-0.235296586451E+03 -0.235296618189E+03 -0.235296650946E+03 -0.235296684825E+03 -0.235296719931E+03
|
||
|
-0.235296756379E+03 -0.235296794286E+03 -0.235296833780E+03 -0.235296874995E+03 -0.235296918070E+03
|
||
|
-0.235296963158E+03 -0.235297010416E+03 -0.235297060013E+03 -0.235297112129E+03 -0.235297166953E+03
|
||
|
-0.235297224688E+03 -0.235297285547E+03 -0.235297349758E+03 -0.235297417564E+03 -0.235297489221E+03
|
||
|
-0.235297565005E+03 -0.235297645205E+03 -0.235297730131E+03 -0.235297820112E+03 -0.235297915500E+03
|
||
|
-0.235298016667E+03 -0.235298124010E+03 -0.235298237952E+03 -0.235298358942E+03 -0.235298487459E+03
|
||
|
-0.235298624012E+03 -0.235298769145E+03 -0.235298923435E+03 -0.235299087497E+03 -0.235299261986E+03
|
||
|
-0.235299447599E+03 -0.235299645080E+03 -0.235299855218E+03 -0.235300078855E+03 -0.235300316887E+03
|
||
|
-0.235300570269E+03 -0.235300840017E+03 -0.235301127212E+03 -0.235301433006E+03 -0.235301758625E+03
|
||
|
-0.235302105372E+03 -0.235302474638E+03 -0.235302867899E+03 -0.235303286729E+03 -0.235303732802E+03
|
||
|
-0.235304207897E+03 -0.235304713911E+03 -0.235305252858E+03 -0.235305826882E+03 -0.235306438262E+03
|
||
|
-0.235307089422E+03 -0.235307782939E+03 -0.235308521551E+03 -0.235309308170E+03 -0.235310145887E+03
|
||
|
-0.235311037987E+03 -0.235311987959E+03 -0.235312999506E+03 -0.235314076560E+03 -0.235315223292E+03
|
||
|
-0.235316444125E+03 -0.235317743753E+03 -0.235319127146E+03 -0.235320599574E+03 -0.235322166617E+03
|
||
|
-0.235323834181E+03 -0.235325608513E+03 -0.235327496222E+03 -0.235329504289E+03 -0.235331640088E+03
|
||
|
-0.235333911399E+03 -0.235336326427E+03 -0.235338893816E+03 -0.235341622665E+03 -0.235344522540E+03
|
||
|
-0.235347603492E+03 -0.235350876061E+03 -0.235354351295E+03 -0.235358040746E+03 -0.235361956484E+03
|
||
|
-0.235366111091E+03 -0.235370517659E+03 -0.235375189777E+03 -0.235380141520E+03 -0.235385387421E+03
|
||
|
-0.235390942438E+03 -0.235396821912E+03 -0.235403041511E+03 -0.235409617154E+03 -0.235416564931E+03
|
||
|
-0.235423900989E+03 -0.235431641403E+03 -0.235439802022E+03 -0.235448398276E+03 -0.235457444961E+03
|
||
|
-0.235466955967E+03 -0.235476943976E+03 -0.235487420097E+03 -0.235498393443E+03 -0.235509870637E+03
|
||
|
-0.235521855241E+03 -0.235534347097E+03 -0.235547341555E+03 -0.235560828598E+03 -0.235574791822E+03
|
||
|
-0.235589207273E+03 -0.235604042106E+03 -0.235619253061E+03 -0.235634784712E+03 -0.235650567468E+03
|
||
|
-0.235666515306E+03 -0.235682523181E+03 -0.235698464086E+03 -0.235714185723E+03 -0.235729506723E+03
|
||
|
-0.235744212374E+03 -0.235758049792E+03 -0.235770722482E+03 -0.235781884202E+03 -0.235791132066E+03
|
||
|
-0.235797998807E+03 -0.235801944092E+03 -0.235802344818E+03 -0.235798484267E+03 -0.235789540017E+03
|
||
|
-0.235774570504E+03 -0.235752500103E+03 -0.235722102609E+03 -0.235681983012E+03 -0.235630557412E+03
|
||
|
-0.235566030987E+03 -0.235486373889E+03 -0.235389294973E+03 -0.235272213292E+03 -0.235132227297E+03
|
||
|
-0.234966081747E+03 -0.234770132354E+03 -0.234540308267E+03 -0.234272072579E+03 -0.233960381118E+03
|
||
|
-0.233599639931E+03 -0.233183661976E+03 -0.232705623742E+03 -0.232158022705E+03 -0.231532636757E+03
|
||
|
-0.230820487068E+03 -0.230011806127E+03 -0.229096013149E+03 -0.228061699472E+03 -0.226896627120E+03
|
||
|
-0.225587744383E+03 -0.224121222988E+03 -0.222482522396E+03 -0.220656487781E+03 -0.218627489526E+03
|
||
|
-0.216379613436E+03 -0.213896912443E+03 -0.211163732130E+03 -0.208165123914E+03 -0.204887360840E+03
|
||
|
-0.201318571297E+03 -0.197449505078E+03 -0.193274443215E+03 -0.188792257145E+03 -0.184007612751E+03
|
||
|
-0.178932299547E+03 -0.173586643082E+03 -0.168000928029E+03 -0.162216718583E+03 -0.156287910982E+03
|
||
|
-0.150281293094E+03 -0.144276331811E+03 -0.138355257328E+03 -0.132668292739E+03 -0.127280913533E+03
|
||
|
-0.122297599357E+03 -0.117823589215E+03 -0.114117790645E+03 -0.111104550899E+03 -0.108792023969E+03
|
||
|
-0.105357532771E+03 -0.102040185098E+03 -0.988265994319E+02 -0.957142197492E+02 -0.926998589313E+02
|
||
|
-0.897804298553E+02 -0.869529430048E+02 -0.842145028347E+02 -0.815623050187E+02 -0.789936335297E+02
|
||
|
-0.765058578675E+02 -0.740964304812E+02 -0.717628837878E+02 -0.695028281286E+02 -0.673139490406E+02
|
||
|
-0.651940049454E+02 -0.631408248643E+02 -0.611523061803E+02 -0.592264125174E+02 -0.573611716108E+02
|
||
|
-0.555546733192E+02 -0.538050676666E+02 -0.521105629338E+02 -0.504694238217E+02 -0.488799697048E+02
|
||
|
-0.473405728530E+02 -0.458496568107E+02 -0.444056947655E+02 -0.430072079854E+02 -0.416527643063E+02
|
||
|
-0.403409766650E+02 -0.390705016823E+02 -0.378400382819E+02 -0.366483263651E+02 -0.354941455160E+02
|
||
|
-0.343763137542E+02 -0.332936863235E+02 -0.322451545199E+02 -0.312296445561E+02 -0.302461164620E+02
|
||
|
-0.292935630196E+02 -0.283710087315E+02 -0.274775088222E+02 -0.266121482701E+02 -0.257740408712E+02
|
||
|
-0.249623283306E+02 -0.241761793844E+02 -0.234147889479E+02 -0.226773772913E+02 -0.219631892413E+02
|
||
|
-0.212714934074E+02 -0.206015814332E+02 -0.199527672709E+02 -0.193243864787E+02 -0.187157955403E+02
|
||
|
-0.181263712059E+02 -0.175555098540E+02
|
||
|
pspotential valence only
|
||
|
-0.153246882559E+03 -0.153247712602E+03 -0.153248516502E+03 -0.153249295084E+03 -0.153250049144E+03
|
||
|
-0.153250779456E+03 -0.153251486766E+03 -0.153252171798E+03 -0.153252835255E+03 -0.153253477815E+03
|
||
|
-0.153254100136E+03 -0.153254702858E+03 -0.153255286594E+03 -0.153255851945E+03 -0.153256399488E+03
|
||
|
-0.153256929785E+03 -0.153257443378E+03 -0.153257940793E+03 -0.153258422539E+03 -0.153258889110E+03
|
||
|
-0.153259340983E+03 -0.153259778622E+03 -0.153260202473E+03 -0.153260612971E+03 -0.153261010537E+03
|
||
|
-0.153261395577E+03 -0.153261768485E+03 -0.153262129643E+03 -0.153262479421E+03 -0.153262818176E+03
|
||
|
-0.153263146256E+03 -0.153263463996E+03 -0.153263771721E+03 -0.153264069747E+03 -0.153264358377E+03
|
||
|
-0.153264637908E+03 -0.153264908625E+03 -0.153265170805E+03 -0.153265424716E+03 -0.153265670619E+03
|
||
|
-0.153265908763E+03 -0.153266139394E+03 -0.153266362745E+03 -0.153266579047E+03 -0.153266788519E+03
|
||
|
-0.153266991375E+03 -0.153267187824E+03 -0.153267378065E+03 -0.153267562291E+03 -0.153267740693E+03
|
||
|
-0.153267913450E+03 -0.153268080739E+03 -0.153268242732E+03 -0.153268399591E+03 -0.153268551478E+03
|
||
|
-0.153268698547E+03 -0.153268840946E+03 -0.153268978821E+03 -0.153269112312E+03 -0.153269241553E+03
|
||
|
-0.153269366676E+03 -0.153269487807E+03 -0.153269605069E+03 -0.153269718579E+03 -0.153269828453E+03
|
||
|
-0.153269934799E+03 -0.153270037726E+03 -0.153270137336E+03 -0.153270233728E+03 -0.153270326999E+03
|
||
|
-0.153270417242E+03 -0.153270504545E+03 -0.153270588995E+03 -0.153270670674E+03 -0.153270749663E+03
|
||
|
-0.153270826039E+03 -0.153270899876E+03 -0.153270971244E+03 -0.153271040212E+03 -0.153271106846E+03
|
||
|
-0.153271171208E+03 -0.153271233359E+03 -0.153271293355E+03 -0.153271351252E+03 -0.153271407102E+03
|
||
|
-0.153271460955E+03 -0.153271512857E+03 -0.153271562854E+03 -0.153271610987E+03 -0.153271657297E+03
|
||
|
-0.153271701819E+03 -0.153271744590E+03 -0.153271785640E+03 -0.153271824999E+03 -0.153271862695E+03
|
||
|
-0.153271898751E+03 -0.153271933190E+03 -0.153271966030E+03 -0.153271997288E+03 -0.153272026977E+03
|
||
|
-0.153272055109E+03 -0.153272081690E+03 -0.153272106727E+03 -0.153272130220E+03 -0.153272152170E+03
|
||
|
-0.153272172570E+03 -0.153272191413E+03 -0.153272208689E+03 -0.153272224381E+03 -0.153272238471E+03
|
||
|
-0.153272250936E+03 -0.153272261750E+03 -0.153272270880E+03 -0.153272278292E+03 -0.153272283945E+03
|
||
|
-0.153272287793E+03 -0.153272289786E+03 -0.153272289868E+03 -0.153272287977E+03 -0.153272284044E+03
|
||
|
-0.153272277995E+03 -0.153272269748E+03 -0.153272259216E+03 -0.153272246301E+03 -0.153272230900E+03
|
||
|
-0.153272212899E+03 -0.153272192176E+03 -0.153272168600E+03 -0.153272142030E+03 -0.153272112311E+03
|
||
|
-0.153272079281E+03 -0.153272042762E+03 -0.153272002565E+03 -0.153271958488E+03 -0.153271910311E+03
|
||
|
-0.153271857802E+03 -0.153271800710E+03 -0.153271738767E+03 -0.153271671687E+03 -0.153271599163E+03
|
||
|
-0.153271520867E+03 -0.153271436449E+03 -0.153271345534E+03 -0.153271247720E+03 -0.153271142581E+03
|
||
|
-0.153271029659E+03 -0.153270908466E+03 -0.153270778482E+03 -0.153270639148E+03 -0.153270489873E+03
|
||
|
-0.153270330021E+03 -0.153270158916E+03 -0.153269975836E+03 -0.153269780011E+03 -0.153269570618E+03
|
||
|
-0.153269346781E+03 -0.153269107564E+03 -0.153268851969E+03 -0.153268578932E+03 -0.153268287317E+03
|
||
|
-0.153267975914E+03 -0.153267643431E+03 -0.153267288490E+03 -0.153266909623E+03 -0.153266505264E+03
|
||
|
-0.153266073742E+03 -0.153265613275E+03 -0.153265121965E+03 -0.153264597787E+03 -0.153264038581E+03
|
||
|
-0.153263442044E+03 -0.153262805722E+03 -0.153262126997E+03 -0.153261403079E+03 -0.153260630991E+03
|
||
|
-0.153259807562E+03 -0.153258929409E+03 -0.153257992926E+03 -0.153256994268E+03 -0.153255929338E+03
|
||
|
-0.153254793764E+03 -0.153253582889E+03 -0.153252291746E+03 -0.153250915041E+03 -0.153249447128E+03
|
||
|
-0.153247881989E+03 -0.153246213211E+03 -0.153244433954E+03 -0.153242536927E+03 -0.153240514358E+03
|
||
|
-0.153238357962E+03 -0.153236058906E+03 -0.153233607776E+03 -0.153230994534E+03 -0.153228208481E+03
|
||
|
-0.153225238212E+03 -0.153222071569E+03 -0.153218695592E+03 -0.153215096466E+03 -0.153211259465E+03
|
||
|
-0.153207168893E+03 -0.153202808018E+03 -0.153198159006E+03 -0.153193202847E+03 -0.153187919279E+03
|
||
|
-0.153182286705E+03 -0.153176282106E+03 -0.153169880947E+03 -0.153163057078E+03 -0.153155782630E+03
|
||
|
-0.153148027898E+03 -0.153139761226E+03 -0.153130948875E+03 -0.153121554890E+03 -0.153111540954E+03
|
||
|
-0.153100866234E+03 -0.153089487216E+03 -0.153077357533E+03 -0.153064427776E+03 -0.153050645299E+03
|
||
|
-0.153035954007E+03 -0.153020294135E+03 -0.153003602006E+03 -0.152985809782E+03 -0.152966845191E+03
|
||
|
-0.152946631247E+03 -0.152925085941E+03 -0.152902121920E+03 -0.152877646146E+03 -0.152851559531E+03
|
||
|
-0.152823756547E+03 -0.152794124821E+03 -0.152762544697E+03 -0.152728888776E+03 -0.152693021423E+03
|
||
|
-0.152654798253E+03 -0.152614065576E+03 -0.152570659820E+03 -0.152524406910E+03 -0.152475121619E+03
|
||
|
-0.152422606879E+03 -0.152366653048E+03 -0.152307037146E+03 -0.152243522041E+03 -0.152175855589E+03
|
||
|
-0.152103769740E+03 -0.152026979580E+03 -0.151945182338E+03 -0.151858056334E+03 -0.151765259879E+03
|
||
|
-0.151666430124E+03 -0.151561181851E+03 -0.151449106212E+03 -0.151329769420E+03 -0.151202711378E+03
|
||
|
-0.151067444264E+03 -0.150923451058E+03 -0.150770184030E+03 -0.150607063181E+03 -0.150433474647E+03
|
||
|
-0.150248769070E+03 -0.150052259951E+03 -0.149843221987E+03 -0.149620889416E+03 -0.149384454379E+03
|
||
|
-0.149133065319E+03 -0.148865825454E+03 -0.148581791339E+03 -0.148279971564E+03 -0.147959325633E+03
|
||
|
-0.147618763068E+03 -0.147257142813E+03 -0.146873273004E+03 -0.146465911200E+03 -0.146033765172E+03
|
||
|
-0.145575494378E+03 -0.145089712260E+03 -0.144574989527E+03 -0.144029858597E+03 -0.143452819418E+03
|
||
|
-0.142842346871E+03 -0.142196900025E+03 -0.141514933465E+03 -0.140794910988E+03 -0.140035321885E+03
|
||
|
-0.139234700062E+03 -0.138391646148E+03 -0.137504852711E+03 -0.136573132545E+03 -0.135595449857E+03
|
||
|
-0.134570953973E+03 -0.133499014903E+03 -0.132379259826E+03 -0.131211609141E+03 -0.129996310334E+03
|
||
|
-0.128733967430E+03 -0.127425563262E+03 -0.126072471265E+03 -0.124676452880E+03 -0.123239636120E+03
|
||
|
-0.121764470305E+03 -0.120253651649E+03 -0.118710014439E+03 -0.117136383347E+03 -0.115535384481E+03
|
||
|
-0.113909216728E+03 -0.112259391203E+03 -0.110586455132E+03 -0.108889725830E+03 -0.107167067771E+03
|
||
|
-0.105414748088E+03 -0.103627405391E+03 -0.101789542831E+03 -0.999437140151E+02 -0.980425107507E+02
|
||
|
-0.960788508770E+02 -0.940558312049E+02 -0.921487025823E+02 -0.902257324162E+02 -0.882744866606E+02
|
||
|
-0.863188134730E+02 -0.843780048830E+02 -0.824450744932E+02 -0.805234851994E+02 -0.786156712732E+02
|
||
|
-0.767237567928E+02 -0.748495516535E+02 -0.729945622392E+02 -0.711600178293E+02 -0.693469132042E+02
|
||
|
-0.675560653957E+02 -0.657881807429E+02 -0.640439269470E+02 -0.623240028446E+02 -0.606291995903E+02
|
||
|
-0.589604468790E+02 -0.573188399977E+02 -0.557056454730E+02 -0.541222852492E+02 -0.525703011285E+02
|
||
|
-0.510513025120E+02 -0.495669012821E+02 -0.481186381574E+02 -0.467079052121E+02 -0.453358696671E+02
|
||
|
-0.440034044777E+02 -0.427110315137E+02 -0.414588828986E+02 -0.402466850425E+02 -0.390737679271E+02
|
||
|
-0.379390994445E+02 -0.368413415363E+02 -0.357789222033E+02 -0.347501157601E+02 -0.337531233439E+02
|
||
|
-0.327861466199E+02 -0.318474495005E+02 -0.309354049914E+02 -0.300485264856E+02 -0.291854845899E+02
|
||
|
-0.283451117204E+02 -0.275263972501E+02 -0.267284760438E+02 -0.259506129403E+02 -0.251921852815E+02
|
||
|
-0.244526650785E+02 -0.237316019165E+02 -0.230286072881E+02 -0.223433407176E+02 -0.216754978054E+02
|
||
|
-0.210248001598E+02 -0.203909870876E+02 -0.197738088642E+02 -0.191730213824E+02 -0.185883819864E+02
|
||
|
-0.180196463043E+02 -0.174665659194E+02
|
||
|
core charge-density (pseudized)
|
||
|
0.519905608232E-10 0.554267416734E-10 0.590900279549E-10 0.629954296097E-10 0.671589486232E-10
|
||
|
0.715976445901E-10 0.763297046145E-10 0.813745178299E-10 0.867527548438E-10 0.924864524340E-10
|
||
|
0.985991038411E-10 0.105115755031E-09 0.112063107316E-09 0.119469626763E-09 0.127365660829E-09
|
||
|
0.135783562708E-09 0.144757823892E-09 0.154325215499E-09 0.164524938938E-09 0.175398786533E-09
|
||
|
0.186991312762E-09 0.199350016813E-09 0.212525537213E-09 0.226571859305E-09 0.241546536456E-09
|
||
|
0.257510925868E-09 0.274530439991E-09 0.292674814535E-09 0.312018394212E-09 0.332640437351E-09
|
||
|
0.354625440654E-09 0.378063485407E-09 0.403050606586E-09 0.429689186342E-09 0.458088373509E-09
|
||
|
0.488364530821E-09 0.520641711703E-09 0.555052168564E-09 0.591736894683E-09 0.630846201922E-09
|
||
|
0.672540336602E-09 0.716990136104E-09 0.764377728851E-09 0.814897280558E-09 0.868755789810E-09
|
||
|
0.926173936208E-09 0.987386984583E-09 0.105264574897E-08 0.112221762028E-08 0.119638766190E-08
|
||
|
0.127545977775E-08 0.135975795741E-08 0.144962760371E-08 0.154543694795E-08 0.164757855864E-08
|
||
|
0.175647095007E-08 0.187256029709E-08 0.199632226323E-08 0.212826394971E-08 0.226892597320E-08
|
||
|
0.241888468094E-08 0.257875451222E-08 0.274919051601E-08 0.293089103487E-08 0.312460056636E-08
|
||
|
0.333111281351E-08 0.355127393686E-08 0.378598602153E-08 0.403621077335E-08 0.430297345930E-08
|
||
|
0.458736710842E-08 0.489055699023E-08 0.521378538934E-08 0.555837669543E-08 0.592574282971E-08
|
||
|
0.631738903005E-08 0.673492001840E-08 0.718004657580E-08 0.765459255203E-08 0.816050233844E-08
|
||
|
0.869984883469E-08 0.927484194199E-08 0.988783761774E-08 0.105413475285E-07 0.112380493408E-07
|
||
|
0.119807976926E-07 0.127726358889E-07 0.136168083713E-07 0.145167740112E-07 0.154762202811E-07
|
||
|
0.164990783632E-07 0.175895392565E-07 0.187520709472E-07 0.199914367156E-07 0.213127146514E-07
|
||
|
0.227213184595E-07 0.242230196403E-07 0.258239711362E-07 0.275307325405E-07 0.293502969725E-07
|
||
|
0.312901197281E-07 0.333581488244E-07 0.355628575625E-07 0.379132792416E-07 0.404190441683E-07
|
||
|
0.430904191102E-07 0.459383493573E-07 0.489745035630E-07 0.522113215475E-07 0.556620652604E-07
|
||
|
0.593408731107E-07 0.632628178864E-07 0.674439685016E-07 0.719014558231E-07 0.766535428464E-07
|
||
|
0.817196995086E-07 0.871206824432E-07 0.928786200058E-07 0.990171029154E-07 0.105561280885E-06
|
||
|
0.112537965635E-06 0.119975740715E-06 0.127905078574E-06 0.136358465368E-06 0.145370534015E-06
|
||
|
0.154978206031E-06 0.165220842739E-06 0.176140406465E-06 0.187781632376E-06 0.200192211673E-06
|
||
|
0.213422986872E-06 0.227528159990E-06 0.242565514469E-06 0.258596651761E-06 0.275687243520E-06
|
||
|
0.293907300457E-06 0.313331458932E-06 0.334039286467E-06 0.356115607420E-06 0.379650850156E-06
|
||
|
0.404741417117E-06 0.431490079324E-06 0.460006396888E-06 0.490407167275E-06 0.522816903126E-06
|
||
|
0.557368341591E-06 0.594202987248E-06 0.633471690816E-06 0.675335266009E-06 0.719965147048E-06
|
||
|
0.767544089494E-06 0.818266917256E-06 0.872341318792E-06 0.929988695744E-06 0.991445067441E-06
|
||
|
0.105696203493E-05 0.112680780844E-05 0.120126830242E-05 0.128064830260E-05 0.136527270978E-05
|
||
|
0.145548786526E-05 0.155166296347E-05 0.165419155726E-05 0.176349316199E-05 0.188001496483E-05
|
||
|
0.200423364622E-05 0.213665732059E-05 0.227782760421E-05 0.242832181844E-05 0.258875533700E-05
|
||
|
0.275978408680E-05 0.294210721195E-05 0.313646991183E-05 0.334366646402E-05 0.356454344439E-05
|
||
|
0.380000315659E-05 0.405100728465E-05 0.431858078276E-05 0.460381601743E-05 0.490787717794E-05
|
||
|
0.523200497226E-05 0.557752162630E-05 0.594583620572E-05 0.633845028039E-05 0.675696395312E-05
|
||
|
0.720308227519E-05 0.767862207269E-05 0.818551920909E-05 0.872583631077E-05 0.930177098387E-05
|
||
|
0.991566455212E-05 0.105700113474E-04 0.112674685859E-04 0.120108668647E-04 0.128032213158E-04
|
||
|
0.136477434558E-04 0.145478537710E-04 0.155071950816E-04 0.165296467279E-04 0.176193396244E-04
|
||
|
0.187806722319E-04 0.200183274945E-04 0.213372907958E-04 0.227428689870E-04 0.242407105420E-04
|
||
|
0.258368268962E-04 0.275376150288E-04 0.293498813456E-04 0.312808669250E-04 0.333382741860E-04
|
||
|
0.355302950415E-04 0.378656405944E-04 0.403535724397E-04 0.430039356276E-04 0.458271933443E-04
|
||
|
0.488344633617E-04 0.520375563041E-04 0.554490157711E-04 0.590821603507E-04 0.629511275468E-04
|
||
|
0.670709196311E-04 0.714574514193E-04 0.761275999496E-04 0.810992560261E-04 0.863913775612E-04
|
||
|
0.920240446264E-04 0.980185160843E-04 0.104397287640E-03 0.111184151099E-03 0.118404254575E-03
|
||
|
0.126084163322E-03 0.134251920800E-03 0.142937109507E-03 0.152170911011E-03 0.161986164521E-03
|
||
|
0.172417423212E-03 0.183501007380E-03 0.195275053366E-03 0.207779557005E-03 0.221056410151E-03
|
||
|
0.235149428644E-03 0.250104369808E-03 0.265968937303E-03 0.282792770878E-03 0.300627418182E-03
|
||
|
0.319526285470E-03 0.339544563583E-03 0.360739125162E-03 0.383168388536E-03 0.406892143195E-03
|
||
|
0.431971331171E-03 0.458467778024E-03 0.486443866460E-03 0.515962144887E-03 0.547084862493E-03
|
||
|
0.579873421640E-03 0.614387737599E-03 0.650685494867E-03 0.688821288548E-03 0.728845638577E-03
|
||
|
0.770803863938E-03 0.814734803536E-03 0.860669370061E-03 0.908628923135E-03 0.958623448272E-03
|
||
|
0.101064952889E-02 0.106468809986E-02 0.112070197289E-02 0.117863312704E-02 0.123839976112E-02
|
||
|
0.129989311009E-02 0.136297403380E-02 0.142746939502E-02 0.149316825378E-02 0.155981791802E-02
|
||
|
0.162711990578E-02 0.169472589312E-02 0.176223374340E-02 0.182918373980E-02 0.189505517201E-02
|
||
|
0.195926346229E-02 0.202115805317E-02 0.208002132098E-02 0.213506882328E-02 0.218545123504E-02
|
||
|
0.223025837469E-02 0.226852576550E-02 0.229924421654E-02 0.232137293523E-02 0.233385669595E-02
|
||
|
0.233564757622E-02 0.232573172661E-02 0.230316154845E-02 0.226709350375E-02 0.221683155562E-02
|
||
|
0.215187592013E-02 0.207197638178E-02 0.197718886698E-02 0.186793326719E-02 0.174504964410E-02
|
||
|
0.160984893220E-02 0.146415309003E-02 0.131031837504E-02 0.115123408966E-02 0.990287870878E-03
|
||
|
0.831287525097E-03 0.678328759795E-03 0.535598221098E-03 0.407102379908E-03 0.296315464992E-03
|
||
|
0.205744332993E-03 0.136415441297E-03 0.872994757747E-04 0.547754095664E-04 0.338188198116E-04
|
||
|
0.205362242348E-04 0.122588806356E-04 0.718986064052E-05 0.414088624546E-05 0.234058880470E-05
|
||
|
0.129766796585E-05 0.705257746188E-06 0.375498683592E-06 0.195734189800E-06 0.998239738991E-07
|
||
|
0.497754873703E-07 0.242494266994E-07 0.115338788408E-07 0.535191862631E-08 0.242083588431E-08
|
||
|
0.106657986918E-08 0.457333094816E-09 0.190682259329E-09 0.772398275178E-10 0.303688154904E-10
|
||
|
0.115786767161E-10 0.427670909637E-11 0.152876609799E-11 0.528322171385E-12 0.176324824774E-12
|
||
|
0.567674173964E-13 0.176097553853E-13 0.525721959721E-14 0.150858460345E-14 0.415563715107E-15
|
||
|
0.109744952184E-15 0.277469656242E-16 0.670680098186E-17 0.154756453186E-17 0.340376048323E-18
|
||
|
0.712472447356E-19 0.141702017331E-19 0.267337816327E-20 0.477612433480E-21 0.806589344905E-22
|
||
|
0.128527880519E-22 0.192881896028E-23 0.272075946858E-24 0.360016081062E-25 0.445951382854E-26
|
||
|
0.516011199631E-27 0.556518007526E-28 0.558161154107E-29 0.519374207451E-30 0.447289631952E-31
|
||
|
0.355629990309E-32 0.260367891573E-33 0.175064565194E-34 0.107804238351E-35 0.606270898466E-37
|
||
|
0.310468696030E-38 0.144336180909E-39 0.607271593111E-41 0.230484607408E-42 0.786517690571E-44
|
||
|
0.240488010869E-45 0.656539175165E-47
|
||
|
pseudo wavefunction
|
||
|
0.165601274909E-03 0.170986215211E-03 0.176546260335E-03 0.182287104253E-03 0.188214626088E-03
|
||
|
0.194334896143E-03 0.200654182106E-03 0.207178955479E-03 0.213915898199E-03 0.220871909482E-03
|
||
|
0.228054112893E-03 0.235469863633E-03 0.243126756079E-03 0.251032631556E-03 0.259195586370E-03
|
||
|
0.267623980099E-03 0.276326444154E-03 0.285311890615E-03 0.294589521364E-03 0.304168837504E-03
|
||
|
0.314059649088E-03 0.324272085170E-03 0.334816604173E-03 0.345704004605E-03 0.356945436110E-03
|
||
|
0.368552410895E-03 0.380536815510E-03 0.392910923029E-03 0.405687405616E-03 0.418879347498E-03
|
||
|
0.432500258372E-03 0.446564087235E-03 0.461085236668E-03 0.476078577590E-03 0.491559464484E-03
|
||
|
0.507543751121E-03 0.524047806797E-03 0.541088533096E-03 0.558683381199E-03 0.576850369752E-03
|
||
|
0.595608103326E-03 0.614975791461E-03 0.634973268344E-03 0.655621013119E-03 0.676940170857E-03
|
||
|
0.698952574216E-03 0.721680765792E-03 0.745148021210E-03 0.769378372957E-03 0.794396634995E-03
|
||
|
0.820228428171E-03 0.846900206453E-03 0.874439284026E-03 0.902873863259E-03 0.932233063586E-03
|
||
|
0.962546951331E-03 0.993846570492E-03 0.102616397454E-02 0.105953225923E-02 0.109398559650E-02
|
||
|
0.112955926949E-02 0.116628970863E-02 0.120421452897E-02 0.124337256871E-02 0.128380392893E-02
|
||
|
0.132555001474E-02 0.136865357757E-02 0.141315875904E-02 0.145911113612E-02 0.150655776781E-02
|
||
|
0.155554724334E-02 0.160612973192E-02 0.165835703410E-02 0.171228263484E-02 0.176796175828E-02
|
||
|
0.182545142426E-02 0.188481050674E-02 0.194609979407E-02 0.200938205127E-02 0.207472208424E-02
|
||
|
0.214218680617E-02 0.221184530607E-02 0.228376891946E-02 0.235803130147E-02 0.243470850221E-02
|
||
|
0.251387904471E-02 0.259562400524E-02 0.268002709642E-02 0.276717475284E-02 0.285715621965E-02
|
||
|
0.295006364387E-02 0.304599216880E-02 0.314504003138E-02 0.324730866281E-02 0.335290279239E-02
|
||
|
0.346193055474E-02 0.357450360052E-02 0.369073721075E-02 0.381075041481E-02 0.393466611232E-02
|
||
|
0.406261119894E-02 0.419471669631E-02 0.433111788613E-02 0.447195444871E-02 0.461737060589E-02
|
||
|
0.476751526870E-02 0.492254218982E-02 0.508261012087E-02 0.524788297500E-02 0.541852999457E-02
|
||
|
0.559472592442E-02 0.577665119069E-02 0.596449208545E-02 0.615844095735E-02 0.635869640844E-02
|
||
|
0.656546349740E-02 0.677895394934E-02 0.699938637243E-02 0.722698648150E-02 0.746198732900E-02
|
||
|
0.770462954338E-02 0.795516157515E-02 0.821383995106E-02 0.848092953640E-02 0.875670380582E-02
|
||
|
0.904144512301E-02 0.933544502928E-02 0.963900454167E-02 0.995243446058E-02 0.102760556874E-01
|
||
|
0.106101995524E-01 0.109552081534E-01 0.113114347049E-01 0.116792438992E-01 0.120590122787E-01
|
||
|
0.124511286202E-01 0.128559943318E-01 0.132740238629E-01 0.137056451266E-01 0.141512999365E-01
|
||
|
0.146114444572E-01 0.150865496692E-01 0.155771018494E-01 0.160836030661E-01 0.166065716906E-01
|
||
|
0.171465429251E-01 0.177040693471E-01 0.182797214723E-01 0.188740883338E-01 0.194877780817E-01
|
||
|
0.201214186006E-01 0.207756581472E-01 0.214511660085E-01 0.221486331801E-01 0.228687730671E-01
|
||
|
0.236123222065E-01 0.243800410130E-01 0.251727145476E-01 0.259911533114E-01 0.268361940638E-01
|
||
|
0.277087006668E-01 0.286095649549E-01 0.295397076335E-01 0.305000792046E-01 0.314916609208E-01
|
||
|
0.325154657699E-01 0.335725394896E-01 0.346639616126E-01 0.357908465450E-01 0.369543446772E-01
|
||
|
0.381556435279E-01 0.393959689238E-01 0.406765862140E-01 0.419988015215E-01 0.433639630311E-01
|
||
|
0.447734623162E-01 0.462287357043E-01 0.477312656821E-01 0.492825823415E-01 0.508842648672E-01
|
||
|
0.525379430664E-01 0.542452989412E-01 0.560080683059E-01 0.578280424472E-01 0.597070698306E-01
|
||
|
0.616470578522E-01 0.636499746364E-01 0.657178508802E-01 0.678527817449E-01 0.700569287938E-01
|
||
|
0.723325219784E-01 0.746818616709E-01 0.771073207433E-01 0.796113466941E-01 0.821964638201E-01
|
||
|
0.848652754332E-01 0.876204661216E-01 0.904648040534E-01 0.934011433215E-01 0.964324263261E-01
|
||
|
0.995616861952E-01 0.102792049237E+00 0.106126737425E+00 0.109569070903E+00 0.113122470521E+00
|
||
|
0.116790460376E+00 0.120576670376E+00 0.124484838792E+00 0.128518814820E+00 0.132682561119E+00
|
||
|
0.136980156329E+00 0.141415797559E+00 0.145993802816E+00 0.150718613386E+00 0.155594796127E+00
|
||
|
0.160627045674E+00 0.165820186522E+00 0.171179174977E+00 0.176709100948E+00 0.182415189541E+00
|
||
|
0.188302802442E+00 0.194377439049E+00 0.200644737303E+00 0.207110474207E+00 0.213780565951E+00
|
||
|
0.220661067624E+00 0.227758172444E+00 0.235078210439E+00 0.242627646537E+00 0.250413077955E+00
|
||
|
0.258441230846E+00 0.266718956085E+00 0.275253224117E+00 0.284051118746E+00 0.293119829766E+00
|
||
|
0.302466644293E+00 0.312098936671E+00 0.322024156792E+00 0.332249816675E+00 0.342783475128E+00
|
||
|
0.353632720286E+00 0.364805149837E+00 0.376308348689E+00 0.388149863858E+00 0.400337176285E+00
|
||
|
0.412877669330E+00 0.425778593618E+00 0.439047027918E+00 0.452689835719E+00 0.466713617115E+00
|
||
|
0.481124655629E+00 0.495928859546E+00 0.511131697337E+00 0.526738126700E+00 0.542752516768E+00
|
||
|
0.559178562982E+00 0.576019194132E+00 0.593276471053E+00 0.610951476486E+00 0.629044195575E+00
|
||
|
0.647553386526E+00 0.666476440959E+00 0.685809233541E+00 0.705545960508E+00 0.725678966812E+00
|
||
|
0.746198561674E+00 0.767092822489E+00 0.788347387158E+00 0.809945235139E+00 0.831866457709E+00
|
||
|
0.854088018257E+00 0.876583503708E+00 0.899322868625E+00 0.922272173958E+00 0.945393322963E+00
|
||
|
0.968643797418E+00 0.991976397975E+00 0.101533899325E+01 0.103867428313E+01 0.106191958281E+01
|
||
|
0.108500663500E+01 0.110786145897E+01 0.113040424626E+01 0.115254931411E+01 0.117420512884E+01
|
||
|
0.119527441271E+01 0.121565434853E+01 0.123523689767E+01 0.125390924704E+01 0.127155440116E+01
|
||
|
0.128805193467E+01 0.130327891930E+01 0.131711103697E+01 0.132942388676E+01 0.134009448824E+01
|
||
|
0.134900297587E+01 0.135603446974E+01 0.136108109471E+01 0.136404410461E+01 0.136483604857E+01
|
||
|
0.136338289335E+01 0.135962598892E+01 0.135352373372E+01 0.134505276258E+01 0.133420844454E+01
|
||
|
0.132100444233E+01 0.130547105119E+01 0.128765200798E+01 0.126759944459E+01 0.124536666154E+01
|
||
|
0.122099842404E+01 0.119451854621E+01 0.116591463818E+01 0.113513192330E+01 0.110229857880E+01
|
||
|
0.106760690010E+01 0.103126913596E+01 0.993503299095E+00 0.954531322759E+00 0.914577214133E+00
|
||
|
0.873865220765E+00 0.832618025861E+00 0.791054985306E+00 0.749390419008E+00 0.707831968468E+00
|
||
|
0.666579032406E+00 0.625821292906E+00 0.585737345768E+00 0.546493450360E+00 0.508242416091E+00
|
||
|
0.471122643995E+00 0.435257342396E+00 0.400753934854E+00 0.367703675592E+00 0.336181483422E+00
|
||
|
0.306245998609E+00 0.277939859932E+00 0.251290191405E+00 0.226309280801E+00 0.202995425930E+00
|
||
|
0.181333920127E+00 0.161298145904E+00 0.142850745176E+00 0.125944835868E+00 0.110525247568E+00
|
||
|
0.965297529287E-01 0.838902762044E-01 0.725340650868E-01 0.623848164471E-01 0.533637501515E-01
|
||
|
0.453906274884E-01 0.383847117693E-01 0.322656684233E-01 0.269544007442E-01 0.223738158529E-01
|
||
|
0.184495139807E-01 0.151103933442E-01 0.122891629950E-01 0.992275720427E-02 0.795264707957E-02
|
||
|
0.632504796918E-02 0.499102444840E-02 0.390649795968E-02 0.303216518261E-02 0.233333770436E-02
|
||
|
0.177971539391E-02 0.134510698519E-02 0.100711174732E-02 0.746775825065E-03 0.548235966487E-03
|
||
|
0.398362041931E-03 0.286408129355E-03 0.203680128568E-03 0.143225991394E-03 0.995528223194E-04
|
||
|
0.683734004099E-04 0.463831621932E-04
|
||
|
ae wavefunction
|
||
|
-0.779383096830E-03 -0.804670313270E-03 -0.830777582198E-03 -0.857731471993E-03 -0.885559410156E-03
|
||
|
-0.914289710917E-03 -0.943951603903E-03 -0.974575263506E-03 -0.100619183930E-02 -0.103883348745E-02
|
||
|
-0.107253340301E-02 -0.110732585339E-02 -0.114324621276E-02 -0.118033099764E-02 -0.121861790359E-02
|
||
|
-0.125814584301E-02 -0.129895498426E-02 -0.134108679191E-02 -0.138458406830E-02 -0.142949099646E-02
|
||
|
-0.147585318430E-02 -0.152371771029E-02 -0.157313317051E-02 -0.162414972725E-02 -0.167681915906E-02
|
||
|
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||
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0.683734004099E-04 0.463831621932E-04
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||
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pseudo wavefunction
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-0.995757983349E+00 -0.102318917762E+01 -0.105104233823E+01 -0.107928859541E+01 -0.110789463056E+01
|
||
|
-0.113682230233E+01 -0.116602825637E+01 -0.119546352043E+01 -0.122507308706E+01 -0.125479548701E+01
|
||
|
-0.128456235701E+01 -0.131429800662E+01 -0.134391898995E+01 -0.137333368893E+01 -0.140244191650E+01
|
||
|
-0.143113454891E+01 -0.145929319829E+01 -0.148678993802E+01 -0.151348709478E+01 -0.153923712331E+01
|
||
|
-0.156388258083E+01 -0.158725621994E+01 -0.160918121978E+01 -0.162947157581E+01 -0.164793266924E+01
|
||
|
-0.166436203590E+01 -0.167855035363E+01 -0.169028266361E+01 -0.169933983724E+01 -0.170550029365E+01
|
||
|
-0.170854196412E+01 -0.170824448870E+01 -0.170439161572E+01 -0.169677375738E+01 -0.168519063354E+01
|
||
|
-0.166945391136E+01 -0.164938972057E+01 -0.162484089453E+01 -0.159566875580E+01 -0.156175423470E+01
|
||
|
-0.152299808336E+01 -0.147931992846E+01 -0.143065590122E+01 -0.137695459756E+01 -0.131817116430E+01
|
||
|
-0.125425938934E+01 -0.118516180381E+01 -0.111079799695E+01 -0.103107310382E+01 -0.946044623512E+00
|
||
|
-0.855863729070E+00 -0.760686739008E+00 -0.660670896630E+00 -0.555970629475E+00 -0.446733524925E+00
|
||
|
-0.333095998077E+00 -0.215178625328E+00 -0.930811030227E-01 0.331232079460E-01 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00
|
||
|
ae wavefunction
|
||
|
0.102279809809E-02 0.105598295520E-02 0.109024398153E-02 0.112561604322E-02 0.116213513385E-02
|
||
|
0.119983841069E-02 0.123876423228E-02 0.127895219700E-02 0.132044318298E-02 0.136327938930E-02
|
||
|
0.140750437843E-02 0.145316312007E-02 0.150030203637E-02 0.154896904858E-02 0.159921362524E-02
|
||
|
0.165108683177E-02 0.170464138181E-02 0.175993169002E-02 0.181701392666E-02 0.187594607387E-02
|
||
|
0.193678798372E-02 0.199960143809E-02 0.206445021046E-02 0.213140012966E-02 0.220051914556E-02
|
||
|
0.227187739694E-02 0.234554728140E-02 0.242160352748E-02 0.250012326910E-02 0.258118612230E-02
|
||
|
0.266487426433E-02 0.275127251532E-02 0.284046842242E-02 0.293255234656E-02 0.302761755200E-02
|
||
|
0.312576029854E-02 0.322707993673E-02 0.333167900586E-02 0.343966333524E-02 0.355114214828E-02
|
||
|
0.366622817008E-02 0.378503773816E-02 0.390769091669E-02 0.403431161410E-02 0.416502770449E-02
|
||
|
0.429997115249E-02 0.443927814225E-02 0.458308921001E-02 0.473154938098E-02 0.488480831019E-02
|
||
|
0.504302042768E-02 0.520634508806E-02 0.537494672452E-02 0.554899500752E-02 0.572866500817E-02
|
||
|
0.591413736647E-02 0.610559846469E-02 0.630324060565E-02 0.650726219645E-02 0.671786793755E-02
|
||
|
0.693526901738E-02 0.715968331261E-02 0.739133559430E-02 0.763045774002E-02 0.787728895198E-02
|
||
|
0.813207598160E-02 0.839507336033E-02 0.866654363718E-02 0.894675762282E-02 0.923599464071E-02
|
||
|
0.953454278511E-02 0.984269918650E-02 0.101607702838E-01 0.104890721050E-01 0.108279305546E-01
|
||
|
0.111776817090E-01 0.115386721204E-01 0.119112591282E-01 0.122958111786E-01 0.126927081535E-01
|
||
|
0.131023417068E-01 0.135251156102E-01 0.139614461072E-01 0.144117622770E-01 0.148765064061E-01
|
||
|
0.153561343706E-01 0.158511160267E-01 0.163619356112E-01 0.168890921513E-01 0.174330998841E-01
|
||
|
0.179944886854E-01 0.185738045092E-01 0.191716098356E-01 0.197884841298E-01 0.204250243101E-01
|
||
|
0.210818452261E-01 0.217595801464E-01 0.224588812564E-01 0.231804201655E-01 0.239248884241E-01
|
||
|
0.246929980494E-01 0.254854820617E-01 0.263030950283E-01 0.271466136176E-01 0.280168371606E-01
|
||
|
0.289145882217E-01 0.298407131766E-01 0.307960827979E-01 0.317815928479E-01 0.327981646776E-01
|
||
|
0.338467458320E-01 0.349283106597E-01 0.360438609282E-01 0.371944264416E-01 0.383810656625E-01
|
||
|
0.396048663337E-01 0.408669461028E-01 0.421684531445E-01 0.435105667818E-01 0.448944981041E-01
|
||
|
0.463214905805E-01 0.477928206656E-01 0.493097983984E-01 0.508737679901E-01 0.524861083994E-01
|
||
|
0.541482338933E-01 0.558615945904E-01 0.576276769837E-01 0.594480044421E-01 0.613241376830E-01
|
||
|
0.632576752182E-01 0.652502537650E-01 0.673035486205E-01 0.694192739947E-01 0.715991832983E-01
|
||
|
0.738450693790E-01 0.761587647029E-01 0.785421414739E-01 0.809971116867E-01 0.835256271057E-01
|
||
|
0.861296791639E-01 0.888112987751E-01 0.915725560499E-01 0.944155599104E-01 0.973424575918E-01
|
||
|
0.100355434023E+00 0.103456711081E+00 0.106648546694E+00 0.109933233808E+00 0.113313099176E+00
|
||
|
0.116790501978E+00 0.120367832256E+00 0.124047509137E+00 0.127831978849E+00 0.131723712499E+00
|
||
|
0.135725203604E+00 0.139838965360E+00 0.144067527627E+00 0.148413433607E+00 0.152879236211E+00
|
||
|
0.157467494072E+00 0.162180767208E+00 0.167021612289E+00 0.171992577494E+00 0.177096196945E+00
|
||
|
0.182334984667E+00 0.187711428068E+00 0.193227980906E+00 0.198887055710E+00 0.204691015624E+00
|
||
|
0.210642165658E+00 0.216742743283E+00 0.222994908383E+00 0.229400732476E+00 0.235962187219E+00
|
||
|
0.242681132128E+00 0.249559301490E+00 0.256598290434E+00 0.263799540106E+00 0.271164321938E+00
|
||
|
0.278693720943E+00 0.286388618021E+00 0.294249671227E+00 0.302277295961E+00 0.310471644060E+00
|
||
|
0.318832581732E+00 0.327359666313E+00 0.336052121816E+00 0.344908813228E+00 0.353928219539E+00
|
||
|
0.363108405469E+00 0.372446991877E+00 0.381941124822E+00 0.391587443286E+00 0.401382045521E+00
|
||
|
0.411320454040E+00 0.421397579240E+00 0.431607681692E+00 0.441944333084E+00 0.452400375883E+00
|
||
|
0.462967881734E+00 0.473638108645E+00 0.484401457046E+00 0.495247424776E+00 0.506164561101E+00
|
||
|
0.517140419877E+00 0.528161511977E+00 0.539213257133E+00 0.550279935369E+00 0.561344638190E+00
|
||
|
0.572389219769E+00 0.583394248351E+00 0.594338958144E+00 0.605201201989E+00 0.615957405133E+00
|
||
|
0.626582520456E+00 0.637049985538E+00 0.647331681984E+00 0.657397897460E+00 0.667217290939E+00
|
||
|
0.676756861667E+00 0.685981922433E+00 0.694856077724E+00 0.703341207433E+00 0.711397456773E+00
|
||
|
0.718983233132E+00 0.726055210628E+00 0.732568343138E+00 0.738475886653E+00 0.743729431805E+00
|
||
|
0.748278947468E+00 0.752072836348E+00 0.755058003510E+00 0.757179938808E+00 0.758382814205E+00
|
||
|
0.758609596944E+00 0.757802179597E+00 0.755901527939E+00 0.752847847632E+00 0.748580770638E+00
|
||
|
0.743039562271E+00 0.736163349711E+00 0.727891372762E+00 0.718163257516E+00 0.706919313515E+00
|
||
|
0.694100854817E+00 0.679650545295E+00 0.663512768224E+00 0.645634020102E+00 0.625963328327E+00
|
||
|
0.604452692158E+00 0.581057546056E+00 0.555737244197E+00 0.528455564603E+00 0.499181230994E+00
|
||
|
0.467888450073E+00 0.434557461595E+00 0.399175098222E+00 0.361735351798E+00 0.322239942381E+00
|
||
|
0.280698886080E+00 0.237131057493E+00 0.191564742273E+00 0.144038175094E+00 0.946000578769E-01
|
||
|
0.433100525371E-01 -0.976075846020E-02 -0.645294519957E-01 -0.120900895309E+00 -0.178767442271E+00
|
||
|
-0.238008713798E+00 -0.298491486962E+00 -0.360069722585E+00 -0.422584762374E+00 -0.485865717301E+00
|
||
|
-0.549730039385E+00 -0.613984211611E+00 -0.678424410654E+00 -0.742836927154E+00 -0.806998129501E+00
|
||
|
-0.870673887741E+00 -0.933618631919E+00 -0.995574503552E+00 -0.105627119755E+01 -0.111542693760E+01
|
||
|
-0.117275060413E+01 -0.122794459101E+01 -0.128070780614E+01 -0.133073840736E+01 -0.137773617010E+01
|
||
|
-0.142140459039E+01 -0.146145288072E+01 -0.149759797215E+01 -0.152956656886E+01 -0.155709724668E+01
|
||
|
-0.157994255458E+01 -0.159787106413E+01 -0.161066931010E+01 -0.161814357131E+01 -0.162012144802E+01
|
||
|
-0.161645320252E+01 -0.160701283604E+01 -0.159169888236E+01 -0.157043490486E+01 -0.154316968632E+01
|
||
|
-0.150987710849E+01 -0.147055571707E+01 -0.142522797707E+01 -0.137393922012E+01 -0.131675629362E+01
|
||
|
-0.125376591776E+01 -0.118507276225E+01 -0.111079725090E+01 -0.103107310382E+01 -0.946044623512E+00
|
||
|
-0.855863729070E+00 -0.760686739008E+00 -0.660670896630E+00 -0.555970629475E+00 -0.446733524925E+00
|
||
|
-0.333095998077E+00 -0.215178625328E+00 -0.930811030227E-01 0.331232079460E-01 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00
|
||
|
pseudo wavefunction
|
||
|
0.876800944011E-08 0.934750821447E-08 0.996530745264E-08 0.106239385241E-07 0.113261001027E-07
|
||
|
0.120746692239E-07 0.128727130735E-07 0.137235015550E-07 0.146305206876E-07 0.155974868896E-07
|
||
|
0.166283622068E-07 0.177273705456E-07 0.188990149810E-07 0.201480962064E-07 0.214797322051E-07
|
||
|
0.228993792199E-07 0.244128541097E-07 0.260263581836E-07 0.277465026102E-07 0.295803355059E-07
|
||
|
0.315353708140E-07 0.336196190923E-07 0.358416203355E-07 0.382104789672E-07 0.407359011437E-07
|
||
|
0.434282345249E-07 0.462985106719E-07 0.493584902482E-07 0.526207112076E-07 0.560985401672E-07
|
||
|
0.598062271759E-07 0.637589641022E-07 0.679729468815E-07 0.724654418773E-07 0.772548566282E-07
|
||
|
0.823608152708E-07 0.878042389479E-07 0.936074315303E-07 0.997941710050E-07 0.106389806902E-06
|
||
|
0.113421364164E-06 0.120917653873E-06 0.128909391308E-06 0.137429321791E-06 0.146512354860E-06
|
||
|
0.156195707309E-06 0.166519055677E-06 0.177524698819E-06 0.189257731222E-06 0.201766227775E-06
|
||
|
0.215101440749E-06 0.229318009799E-06 0.244474185843E-06 0.260632069739E-06 0.277857866739E-06
|
||
|
0.296222157754E-06 0.315800188551E-06 0.336672178071E-06 0.358923647107E-06 0.382645768724E-06
|
||
|
0.407935741827E-06 0.434897189421E-06 0.463640583198E-06 0.494283696178E-06 0.526952085273E-06
|
||
|
0.561779605740E-06 0.598908959638E-06 0.638492280532E-06 0.680691756840E-06 0.725680296386E-06
|
||
|
0.773642234858E-06 0.824774091112E-06 0.879285372373E-06 0.937399432670E-06 0.999354387998E-06
|
||
|
0.106540409197E-05 0.113581917593E-05 0.121088815785E-05 0.129091862451E-05 0.137623849171E-05
|
||
|
0.146719734796E-05 0.156416788680E-05 0.166754743388E-05 0.177775957492E-05 0.189525589134E-05
|
||
|
0.202051781045E-05 0.215405857812E-05 0.229642536164E-05 0.244820149169E-05 0.261000885240E-05
|
||
|
0.278251042944E-05 0.296641302644E-05 0.316247016102E-05 0.337148515214E-05 0.359431441156E-05
|
||
|
0.383187095279E-05 0.408512813195E-05 0.435512363590E-05 0.464296373389E-05 0.494982781024E-05
|
||
|
0.527697319654E-05 0.562574032326E-05 0.599755821177E-05 0.639395032933E-05 0.681654083108E-05
|
||
|
0.726706121445E-05 0.774735741341E-05 0.825939736158E-05 0.880527905509E-05 0.938723914832E-05
|
||
|
0.100076621177E-04 0.106690900313E-04 0.113742329633E-04 0.121259800981E-04 0.129274115664E-04
|
||
|
0.137818110654E-04 0.146926793112E-04 0.156637483817E-04 0.166989970060E-04 0.178026668649E-04
|
||
|
0.189792799686E-04 0.202336571823E-04 0.215709379761E-04 0.229966014801E-04 0.245164889303E-04
|
||
|
0.261368275985E-04 0.278642563022E-04 0.297058526010E-04 0.316691617896E-04 0.337622278059E-04
|
||
|
0.359936261822E-04 0.383724991726E-04 0.409085932015E-04 0.436122987857E-04 0.464946930946E-04
|
||
|
0.495675853214E-04 0.528435650517E-04 0.563360538268E-04 0.600593601135E-04 0.640287379045E-04
|
||
|
0.682604491895E-04 0.727718305516E-04 0.775813641627E-04 0.827087534671E-04 0.881750038632E-04
|
||
|
0.940025087122E-04 0.100215141027E-03 0.106838351212E-03 0.113899271262E-03 0.121426825831E-03
|
||
|
0.129451850639E-03 0.138007218693E-03 0.147127974839E-03 0.156851479188E-03 0.167217560013E-03
|
||
|
0.178268676735E-03 0.190050093652E-03 0.202610065133E-03 0.216000033036E-03 0.230274837125E-03
|
||
|
0.245492939378E-03 0.261716663077E-03 0.279012447654E-03 0.297451120339E-03 0.317108185698E-03
|
||
|
0.338064134258E-03 0.360404771445E-03 0.384221568189E-03 0.409612034611E-03 0.436680118300E-03
|
||
|
0.465536628795E-03 0.496299689994E-03 0.529095222301E-03 0.564057456473E-03 0.601329481228E-03
|
||
|
0.641063826829E-03 0.683423086966E-03 0.728580581473E-03 0.776721062500E-03 0.828041466988E-03
|
||
|
0.882751718458E-03 0.941075581300E-03 0.100325157099E-02 0.106953392380E-02 0.114019362999E-02
|
||
|
0.121551953433E-02 0.129581950858E-02 0.138142170037E-02 0.147267586342E-02 0.156995477434E-02
|
||
|
0.167365574160E-02 0.178420221244E-02 0.190204548403E-02 0.202766652548E-02 0.216157791777E-02
|
||
|
0.230432591894E-02 0.245649266256E-02 0.261869849773E-02 0.279160447948E-02 0.297591501904E-02
|
||
|
0.317238070372E-02 0.338180129699E-02 0.360502892978E-02 0.384297149468E-02 0.409659625537E-02
|
||
|
0.436693368430E-02 0.465508154220E-02 0.496220921392E-02 0.528956231568E-02 0.563846758961E-02
|
||
|
0.601033810226E-02 0.640667876444E-02 0.682909219080E-02 0.727928491799E-02 0.775907400132E-02
|
||
|
0.827039401059E-02 0.881530444640E-02 0.939599759912E-02 0.100148068734E-01 0.106742156015E-01
|
||
|
0.113768663702E-01 0.121255708846E-01 0.129233203949E-01 0.137732967111E-01 0.146788838304E-01
|
||
|
0.156436802026E-01 0.166715116586E-01 0.177664450254E-01 0.189328024512E-01 0.201751764616E-01
|
||
|
0.214984457673E-01 0.229077918395E-01 0.244087162683E-01 0.260070589136E-01 0.277090168538E-01
|
||
|
0.295211641335E-01 0.314504723011E-01 0.335043317241E-01 0.356905736540E-01 0.380174930081E-01
|
||
|
0.404938718165E-01 0.431290032710E-01 0.459327162930E-01 0.489154005177E-01 0.520880315669E-01
|
||
|
0.554621964571E-01 0.590501189569E-01 0.628646846736E-01 0.669194656068E-01 0.712287438610E-01
|
||
|
0.758075341598E-01 0.806716047425E-01 0.858374961587E-01 0.913225374051E-01 0.971448587634E-01
|
||
|
0.103323400607E+00 0.109877917345E+00 0.116828975553E+00 0.124197945226E+00 0.132006982940E+00
|
||
|
0.140279005578E+00 0.149037653088E+00 0.158307238608E+00 0.168112684061E+00 0.178479439165E+00
|
||
|
0.189433381569E+00 0.201000695635E+00 0.213207727145E+00 0.226080810995E+00 0.239646068748E+00
|
||
|
0.253929172660E+00 0.268955072667E+00 0.284747682617E+00 0.301329521948E+00 0.318721308955E+00
|
||
|
0.336941501824E+00 0.356005783734E+00 0.375926488622E+00 0.396711964631E+00 0.418365872905E+00
|
||
|
0.440886420303E+00 0.464265525791E+00 0.488487921860E+00 0.513530194255E+00 0.539359765817E+00
|
||
|
0.565933833236E+00 0.593198269177E+00 0.621086506602E+00 0.649518427171E+00 0.678399281539E+00
|
||
|
0.707618676025E+00 0.737049667626E+00 0.766548017516E+00 0.795951661959E+00 0.825080468582E+00
|
||
|
0.853736355011E+00 0.881703855321E+00 0.908751226891E+00 0.934632195261E+00 0.959088436067E+00
|
||
|
0.981852889776E+00 0.100265399478E+01 0.102122090536E+01 0.103728973059E+01 0.105061078571E+01
|
||
|
0.106095678593E+01 0.106813183156E+01 0.107198092964E+01 0.107239967047E+01 0.106934352644E+01
|
||
|
0.106283606789E+01 0.105297520228E+01 0.103993634812E+01 0.102397126985E+01 0.100540114852E+01
|
||
|
0.984602376673E+00 0.961983587333E+00 0.937952609184E+00 0.912872443460E+00 0.887006052155E+00
|
||
|
0.860452991731E+00 0.833252801519E+00 0.805493529391E+00 0.777271453262E+00 0.748683201924E+00
|
||
|
0.719825238096E+00 0.690793328435E+00 0.661681998628E+00 0.632583974907E+00 0.603589615957E+00
|
||
|
0.574786343837E+00 0.546258085908E+00 0.518084744401E+00 0.490341709559E+00 0.463099436489E+00
|
||
|
0.436423101234E+00 0.410372349293E+00 0.385001144350E+00 0.360357718717E+00 0.336484620467E+00
|
||
|
0.313418845898E+00 0.291192040673E+00 0.269830748981E+00 0.249356687821E+00 0.229787023159E+00
|
||
|
0.211134626457E+00 0.193408293773E+00 0.176612915230E+00 0.160749589661E+00 0.145815686884E+00
|
||
|
0.131804867638E+00 0.118707077479E+00 0.106508535194E+00 0.951917379005E-01 0.847355037584E-01
|
||
|
0.751150696074E-01 0.663022553859E-01 0.582657008795E-01 0.509711740036E-01 0.443819441832E-01
|
||
|
0.384592099214E-01 0.331625665882E-01 0.284504988041E-01 0.242808814170E-01 0.206114737297E-01
|
||
|
0.174003930790E-01 0.146065558390E-01 0.121900761971E-01 0.101126154439E-01 0.833767690013E-02
|
||
|
0.683084384737E-02 0.555995988725E-02 0.449525295743E-02 0.360940576797E-02 0.287757666854E-02
|
||
|
0.227737591772E-02 0.178880300745E-02
|
||
|
ae wavefunction
|
||
|
0.106376663925E-06 0.113087378605E-06 0.120167204093E-06 0.127639453829E-06 0.135528788460E-06
|
||
|
0.143861306001E-06 0.152664629090E-06 0.161968008196E-06 0.171802424617E-06 0.182200702277E-06
|
||
|
0.193197625722E-06 0.204830065916E-06 0.217137113874E-06 0.230160222704E-06 0.243943358664E-06
|
||
|
0.258533161458E-06 0.273979115321E-06 0.290333730428E-06 0.307652736224E-06 0.325995286881E-06
|
||
|
0.345424180108E-06 0.366006089849E-06 0.387811813984E-06 0.410916537952E-06 0.435400115356E-06
|
||
|
0.461347366666E-06 0.488848397189E-06 0.517998935631E-06 0.548900694557E-06 0.581661754149E-06
|
||
|
0.616396970934E-06 0.653228412956E-06 0.692285823209E-06 0.733707113374E-06 0.777638889272E-06
|
||
|
0.824237010342E-06 0.873667187634E-06 0.926105617818E-06 0.981739656739E-06 0.104076854693E-05
|
||
|
0.110340417959E-05 0.116987191516E-05 0.124041145028E-05 0.131527775374E-05 0.139474204600E-05
|
||
|
0.147909285976E-05 0.156863715528E-05 0.166370152225E-05 0.176463344799E-05 0.187180267692E-05
|
||
|
0.198560265527E-05 0.210645206859E-05 0.223479648729E-05 0.237111010771E-05 0.251589761940E-05
|
||
|
0.266969618770E-05 0.283307756466E-05 0.300665034366E-05 0.319106235815E-05 0.338700323566E-05
|
||
|
0.359520712234E-05 0.381645558329E-05 0.405158069433E-05 0.430146833255E-05 0.456706168813E-05
|
||
|
0.484936499853E-05 0.514944753224E-05 0.546844782900E-05 0.580757822205E-05 0.616812964993E-05
|
||
|
0.655147678881E-05 0.695908350829E-05 0.739250871641E-05 0.785341251676E-05 0.834356286693E-05
|
||
|
0.886484257911E-05 0.941925683461E-05 0.100089411562E-04 0.106361699319E-04 0.113033654664E-04
|
||
|
0.120131076347E-04 0.127681441654E-04 0.135714015958E-04 0.144259969312E-04 0.153352500788E-04
|
||
|
0.163026970740E-04 0.173321041825E-04 0.184274829087E-04 0.195931059888E-04 0.208335244174E-04
|
||
|
0.221535855856E-04 0.235584525931E-04 0.250536248132E-04 0.266449598029E-04 0.283386966199E-04
|
||
|
0.301414806623E-04 0.320603901106E-04 0.341029640920E-04 0.362772326542E-04 0.385917486917E-04
|
||
|
0.410556219312E-04 0.436785551078E-04 0.464708824889E-04 0.494436108723E-04 0.526084632391E-04
|
||
|
0.559779252101E-04 0.595652945014E-04 0.633847335573E-04 0.674513255682E-04 0.717811340988E-04
|
||
|
0.763912665059E-04 0.812999414902E-04 0.865265608942E-04 0.920917861720E-04 0.980176196869E-04
|
||
|
0.104327491253E-03 0.111046350157E-03 0.118200763068E-03 0.125819018186E-03 0.133931235994E-03
|
||
|
0.142569487043E-03 0.151767917245E-03 0.161562881049E-03 0.171993083077E-03 0.183099728700E-03
|
||
|
0.194926684101E-03 0.207520646426E-03 0.220931324635E-03 0.235211631694E-03 0.250417888823E-03
|
||
|
0.266610042508E-03 0.283851895072E-03 0.302211349609E-03 0.321760670146E-03 0.342576757962E-03
|
||
|
0.364741445011E-03 0.388341805475E-03 0.413470486536E-03 0.440226059472E-03 0.468713392311E-03
|
||
|
0.499044045277E-03 0.531336690368E-03 0.565717556476E-03 0.602320901510E-03 0.641289513072E-03
|
||
|
0.682775239371E-03 0.726939551978E-03 0.773954142357E-03 0.824001553998E-03 0.877275852109E-03
|
||
|
0.933983333047E-03 0.994343275554E-03 0.105858873622E-02 0.112696739142E-02 0.119974242835E-02
|
||
|
0.127719348774E-02 0.135961766088E-02 0.144733054402E-02 0.154066735284E-02 0.163998410030E-02
|
||
|
0.174565884096E-02 0.185809298508E-02 0.197771268610E-02 0.210497030488E-02 0.224034595445E-02
|
||
|
0.238434912926E-02 0.253752042256E-02 0.270043333617E-02 0.287369618668E-02 0.305795411244E-02
|
||
|
0.325389118548E-02 0.346223263297E-02 0.368374717262E-02 0.391924946659E-02 0.416960269843E-02
|
||
|
0.443572127781E-02 0.471857367750E-02 0.501918540723E-02 0.533864212905E-02 0.567809291859E-02
|
||
|
0.603875367649E-02 0.642191069441E-02 0.682892437938E-02 0.726123314047E-02 0.772035744098E-02
|
||
|
0.820790401971E-02 0.872557028332E-02 0.927514887283E-02 0.985853240510E-02 0.104777183909E-01
|
||
|
0.111348143293E-01 0.118320429787E-01 0.125717478014E-01 0.133563985807E-01 0.141885972064E-01
|
||
|
0.150710836221E-01 0.160067419302E-01 0.169986066447E-01 0.180498690814E-01 0.191638838754E-01
|
||
|
0.203441756103E-01 0.215944455427E-01 0.229185784032E-01 0.243206492528E-01 0.258049303683E-01
|
||
|
0.273758981296E-01 0.290382398771E-01 0.307968607038E-01 0.326568901423E-01 0.346236887033E-01
|
||
|
0.367028542167E-01 0.389002279233E-01 0.412219002565E-01 0.436742162521E-01 0.462637805150E-01
|
||
|
0.489974616687E-01 0.518823962033E-01 0.549259916353E-01 0.581359288826E-01 0.615201637527E-01
|
||
|
0.650869274339E-01 0.688447258721E-01 0.728023379090E-01 0.769688120484E-01 0.813534617116E-01
|
||
|
0.859658588327E-01 0.908158256401E-01 0.959134244604E-01 0.101268945377E+00 0.106892891567E+00
|
||
|
0.112795962129E+00 0.118989032231E+00 0.125483130367E+00 0.132289412540E+00 0.139419133179E+00
|
||
|
0.146883612583E+00 0.154694200706E+00 0.162862237094E+00 0.171399006785E+00 0.180315691999E+00
|
||
|
0.189623319469E+00 0.199332703246E+00 0.209454382872E+00 0.219998556817E+00 0.230975011094E+00
|
||
|
0.242393043036E+00 0.254261380221E+00 0.266588094582E+00 0.279380511809E+00 0.292645116169E+00
|
||
|
0.306387450937E+00 0.320612014691E+00 0.335322153768E+00 0.350519951235E+00 0.366206112781E+00
|
||
|
0.382379849965E+00 0.399038761318E+00 0.416178711806E+00 0.433793711196E+00 0.451875791938E+00
|
||
|
0.470414887181E+00 0.489398709712E+00 0.508812632750E+00 0.528639573860E+00 0.548859883775E+00
|
||
|
0.569451242677E+00 0.590388567700E+00 0.611643937071E+00 0.633186538600E+00 0.654982653173E+00
|
||
|
0.676995687222E+00 0.699186271025E+00 0.721512440233E+00 0.743929912254E+00 0.766392451467E+00
|
||
|
0.788852281536E+00 0.811260448826E+00 0.833566982673E+00 0.855720672764E+00 0.877668340083E+00
|
||
|
0.899353641378E+00 0.920715678287E+00 0.941687871102E+00 0.962197571128E+00 0.982166653878E+00
|
||
|
0.100151294281E+01 0.102015199624E+01 0.103799875859E+01 0.105496880301E+01 0.107097916454E+01
|
||
|
0.108594891129E+01 0.109979961459E+01 0.111245582358E+01 0.112384558912E+01 0.113390103858E+01
|
||
|
0.114255898141E+01 0.114976151767E+01 0.115545662253E+01 0.115959868507E+01 0.116214898481E+01
|
||
|
0.116307609610E+01 0.116235621367E+01 0.115997339636E+01 0.115591972875E+01 0.115019540070E+01
|
||
|
0.114280870845E+01 0.113377597858E+01 0.112312142138E+01 0.111087691649E+01 0.109708173905E+01
|
||
|
0.108178223082E+01 0.106503142542E+01 0.104688863368E+01 0.102741899768E+01 0.100669302031E+01
|
||
|
0.984786077479E+00 0.961777919827E+00 0.937752167786E+00 0.912795806255E+00 0.886998680288E+00
|
||
|
0.860452991731E+00 0.833252801519E+00 0.805493529391E+00 0.777271453262E+00 0.748683201924E+00
|
||
|
0.719825238096E+00 0.690793328435E+00 0.661681998628E+00 0.632583974907E+00 0.603589615957E+00
|
||
|
0.574786343837E+00 0.546258085908E+00 0.518084744401E+00 0.490341709559E+00 0.463099436489E+00
|
||
|
0.436423101234E+00 0.410372349293E+00 0.385001144350E+00 0.360357718717E+00 0.336484620467E+00
|
||
|
0.313418845898E+00 0.291192040673E+00 0.269830748981E+00 0.249356687821E+00 0.229787023159E+00
|
||
|
0.211134626457E+00 0.193408293773E+00 0.176612915230E+00 0.160749589661E+00 0.145815686884E+00
|
||
|
0.131804867638E+00 0.118707077479E+00 0.106508535194E+00 0.951917379005E-01 0.847355037584E-01
|
||
|
0.751150696074E-01 0.663022553859E-01 0.582657008795E-01 0.509711740036E-01 0.443819441832E-01
|
||
|
0.384592099214E-01 0.331625665882E-01 0.284504988041E-01 0.242808814170E-01 0.206114737297E-01
|
||
|
0.174003930790E-01 0.146065558390E-01 0.121900761971E-01 0.101126154439E-01 0.833767690013E-02
|
||
|
0.683084384737E-02 0.555995988725E-02 0.449525295743E-02 0.360940576797E-02 0.287757666854E-02
|
||
|
0.227737591772E-02 0.178880300745E-02
|
||
|
pseudo wavefunction
|
||
|
-0.142177108330E-07 -0.151573934429E-07 -0.161591819300E-07 -0.172271810207E-07 -0.183657667324E-07
|
||
|
-0.195796043043E-07 -0.208736673120E-07 -0.222532580471E-07 -0.237240292420E-07 -0.252920072319E-07
|
||
|
-0.269636166468E-07 -0.287457067361E-07 -0.306455794322E-07 -0.326710192699E-07 -0.348303252825E-07
|
||
|
-0.371323450063E-07 -0.395865107325E-07 -0.422028781547E-07 -0.449921675717E-07 -0.479658078124E-07
|
||
|
-0.511359830642E-07 -0.545156827968E-07 -0.581187549848E-07 -0.619599628486E-07 -0.660550453453E-07
|
||
|
-0.704207816571E-07 -0.750750599424E-07 -0.800369506308E-07 -0.853267845622E-07 -0.909662362900E-07
|
||
|
-0.969784128907E-07 -0.103387948643E-06 -0.110221105962E-06 -0.117505883012E-06 -0.125272128418E-06
|
||
|
-0.133551663576E-06 -0.142378413031E-06 -0.151788543484E-06 -0.161820611976E-06 -0.172515723878E-06
|
||
|
-0.183917701311E-06 -0.196073262703E-06 -0.209032214215E-06 -0.222847653816E-06 -0.237576188843E-06
|
||
|
-0.253278167948E-06 -0.270017928365E-06 -0.287864059533E-06 -0.306889684122E-06 -0.327172757658E-06
|
||
|
-0.348796387925E-06 -0.371849175501E-06 -0.396425576781E-06 -0.422626291005E-06 -0.450558672861E-06
|
||
|
-0.480337172360E-06 -0.512083803779E-06 -0.545928645605E-06 -0.582010373512E-06 -0.620476828571E-06
|
||
|
-0.661485623011E-06 -0.705204786017E-06 -0.751813452209E-06 -0.801502595623E-06 -0.854475812207E-06
|
||
|
-0.910950154028E-06 -0.971157018616E-06 -0.103534309709E-05 -0.110377138494E-05 -0.117672225960E-05
|
||
|
-0.125449462931E-05 -0.133740715779E-05 -0.142579956996E-05 -0.152003404390E-05 -0.162049669484E-05
|
||
|
-0.172759915718E-05 -0.184178027116E-05 -0.196350788087E-05 -0.209328075124E-05 -0.223163061160E-05
|
||
|
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ae wavefunction
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||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
||
|
0.000000000000E+00 0.000000000000E+00
|
||
|
End of Dataset
|