mirror of
https://github.com/triqs/dft_tools
synced 2024-12-25 05:43:40 +01:00
3012 lines
266 KiB
Plaintext
3012 lines
266 KiB
Plaintext
PAW Ce 26Mar2009
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12.0000000000000
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parameters from PSCTR are:
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VRHFIN =Ce : [core=Kr4d]
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LEXCH = CA
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EATOM = 1067.1067 eV, 78.4301 Ry
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TITEL = PAW Ce 26Mar2009
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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 = 1.800 partial core radius
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POMASS = 140.115; ZVAL = 12.000 mass and valenz
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RCORE = 2.700 outmost cutoff radius
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RWIGS = 2.500; RWIGS = 1.323 wigner-seitz radius (au A)
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ENMAX = 273.088; ENMIN = 204.816 eV
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RCLOC = 1.810 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 = 580.196
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DEXC = 0.000
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RMAX = 2.749 core radius for proj-oper
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RAUG = 1.300 factor for augmentation sphere
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RDEP = 2.810 radius for radial grids
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RDEPT = 2.162 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 -40012.5569 2.0000
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2 0 0.50 -6414.9631 2.0000
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2 1 1.50 -5754.1130 6.0000
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3 0 0.50 -1381.7874 2.0000
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3 1 1.50 -1170.8585 6.0000
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3 2 2.50 -869.4387 10.0000
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4 0 0.50 -279.2642 2.0000
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4 1 1.50 -210.1917 6.0000
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4 2 2.50 -110.4498 10.0000
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5 0 0.50 -40.5958 2.0000
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6 0 0.50 -3.8774 2.0000
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5 1 1.50 -23.2715 6.0000
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5 2 2.50 -3.2029 1.0000
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4 3 2.50 -5.7775 1.0000
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Description
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l E TYP RCUT TYP RCUT
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0 -40.5957679 23 1.500
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0 -3.8774239 23 2.300
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1 -23.2714697 23 2.000
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1 40.8174780 23 2.300
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2 -3.2029236 23 2.500
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2 13.6058260 23 2.500
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3 -5.7774954 23 2.700
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3 -5.8505052 23 2.700
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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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225. 217. 213. 205. 201. 192. 183. 179.
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170. 162. 157. 149. 141. 132. 124. 117.
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109. 102. 95.1 85.3 79.2 73.4 65.2 60.2
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55.5 49.0 43.1 39.5 34.6 30.2 26.3 22.8
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19.7 17.1 14.7 12.6 10.3 8.76 7.05 5.97
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4.76 3.76 2.95 2.29 1.77 1.35 1.02 0.703
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0.517 0.349 0.234 0.172 0.121 0.910E-01 0.732E-01 0.669E-01
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0.646E-01 0.635E-01 0.619E-01 0.587E-01 0.538E-01 0.474E-01 0.404E-01 0.322E-01
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0.258E-01 0.198E-01 0.154E-01 0.127E-01 0.112E-01 0.107E-01 0.106E-01 0.105E-01
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0.998E-02 0.907E-02 0.768E-02 0.631E-02 0.492E-02 0.389E-02 0.323E-02 0.297E-02
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0.289E-02 0.285E-02 0.270E-02 0.240E-02 0.201E-02 0.162E-02 0.132E-02 0.113E-02
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0.103E-02 0.982E-03 0.923E-03 0.844E-03 0.727E-03 0.610E-03 0.498E-03 0.427E-03
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0.392E-03 0.380E-03 0.355E-03 0.309E-03
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END of PSCTR-controll parameters
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local part
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69.9198615774202
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0.17617501E+03 0.17614934E+03 0.17607232E+03 0.17594403E+03 0.17576462E+03
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0.17553426E+03 0.17525318E+03 0.17492166E+03 0.17454003E+03 0.17410866E+03
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0.17362797E+03 0.17309840E+03 0.17252046E+03 0.17189469E+03 0.17122165E+03
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0.17050195E+03 0.16973625E+03 0.16892522E+03 0.16806959E+03 0.16717010E+03
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0.16622754E+03 0.16524274E+03 0.16421656E+03 0.16314987E+03 0.16204360E+03
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0.16089872E+03 0.15971620E+03 0.15849707E+03 0.15724236E+03 0.15595315E+03
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0.15463053E+03 0.15327563E+03 0.15188959E+03 0.15047357E+03 0.14902875E+03
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0.14755632E+03 0.14605750E+03 0.14453351E+03 0.14298558E+03 0.14141495E+03
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0.13982289E+03 0.13821063E+03 0.13657946E+03 0.13493064E+03 0.13326544E+03
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0.13158514E+03 0.12989099E+03 0.12818429E+03 0.12646628E+03 0.12473825E+03
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0.12300144E+03 0.12125710E+03 0.11950647E+03 0.11775079E+03 0.11599126E+03
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0.11422909E+03 0.11246547E+03 0.11070156E+03 0.10893853E+03 0.10717749E+03
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0.10541958E+03 0.10366588E+03 0.10191745E+03 0.10017535E+03 0.98440609E+02
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0.96714214E+02 0.94997142E+02 0.93290339E+02 0.91594726E+02 0.89911192E+02
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0.88240599E+02 0.86583781E+02 0.84941539E+02 0.83314645E+02 0.81703839E+02
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0.80109828E+02 0.78533289E+02 0.76974864E+02 0.75435165E+02 0.73914768E+02
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0.72414218E+02 0.70934026E+02 0.69474671E+02 0.68036597E+02 0.66620218E+02
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0.65225912E+02 0.63854026E+02 0.62504875E+02 0.61178741E+02 0.59875873E+02
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0.58596491E+02 0.57340781E+02 0.56108900E+02 0.54900974E+02 0.53717098E+02
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0.52557339E+02 0.51421736E+02 0.50310296E+02 0.49223004E+02 0.48159813E+02
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0.47120654E+02 0.46105431E+02 0.45114023E+02 0.44146288E+02 0.43202059E+02
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0.42281149E+02 0.41383348E+02 0.40508427E+02 0.39656139E+02 0.38826216E+02
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0.38018375E+02 0.37232316E+02 0.36467722E+02 0.35724262E+02 0.35001592E+02
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0.34299355E+02 0.33617183E+02 0.32954694E+02 0.32311499E+02 0.31687200E+02
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0.31081390E+02 0.30493656E+02 0.29923577E+02 0.29370728E+02 0.28834681E+02
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0.28315001E+02 0.27811255E+02 0.27323004E+02 0.26849810E+02 0.26391234E+02
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0.25946838E+02 0.25516185E+02 0.25098838E+02 0.24694366E+02 0.24302338E+02
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0.23922329E+02 0.23553917E+02 0.23196686E+02 0.22850226E+02 0.22514131E+02
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0.22188003E+02 0.21871453E+02 0.21564096E+02 0.21265558E+02 0.20975471E+02
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0.20693477E+02 0.20419227E+02 0.20152380E+02 0.19892606E+02 0.19639583E+02
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0.19393001E+02 0.19152558E+02 0.18917962E+02 0.18688934E+02 0.18465201E+02
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0.18246505E+02 0.18032594E+02 0.17823230E+02 0.17618182E+02 0.17417234E+02
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0.17220176E+02 0.17026810E+02 0.16836948E+02 0.16650413E+02 0.16467035E+02
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0.16286657E+02 0.16109128E+02 0.15934310E+02 0.15762072E+02 0.15592290E+02
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0.15424853E+02 0.15259653E+02 0.15096594E+02 0.14935587E+02 0.14776549E+02
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0.14619405E+02 0.14464087E+02 0.14310534E+02 0.14158691E+02 0.14008509E+02
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0.13859944E+02 0.13712958E+02 0.13567519E+02 0.13423598E+02 0.13281172E+02
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0.13140221E+02 0.13000729E+02 0.12862685E+02 0.12726080E+02 0.12590906E+02
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0.12457162E+02 0.12324844E+02 0.12193956E+02 0.12064499E+02 0.11936477E+02
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0.11809897E+02 0.11684766E+02 0.11561090E+02 0.11438879E+02 0.11318141E+02
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0.11198886E+02 0.11081123E+02 0.10964861E+02 0.10850108E+02 0.10736874E+02
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0.10625166E+02 0.10514991E+02 0.10406356E+02 0.10299266E+02 0.10193725E+02
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0.10089735E+02 0.99873000E+01 0.98864192E+01 0.97870920E+01 0.96893164E+01
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0.95930887E+01 0.94984040E+01 0.94052558E+01 0.93136363E+01 0.92235359E+01
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0.91349440E+01 0.90478482E+01 0.89622347E+01 0.88780886E+01 0.87953931E+01
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0.87141304E+01 0.86342814E+01 0.85558255E+01 0.84787411E+01 0.84030055E+01
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0.83285947E+01 0.82554840E+01 0.81836476E+01 0.81130590E+01 0.80436907E+01
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0.79755150E+01 0.79085031E+01 0.78426262E+01 0.77778546E+01 0.77141587E+01
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0.76515083E+01 0.75898732E+01 0.75292231E+01 0.74695275E+01 0.74107561E+01
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0.73528787E+01 0.72958652E+01 0.72396857E+01 0.71843109E+01 0.71297118E+01
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0.70758596E+01 0.70227264E+01 0.69702849E+01 0.69185081E+01 0.68673702E+01
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0.68168458E+01 0.67669106E+01 0.67175408E+01 0.66687137E+01 0.66204076E+01
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0.65726016E+01 0.65252756E+01 0.64784108E+01 0.64319890E+01 0.63859932E+01
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0.63404074E+01 0.62952166E+01 0.62504066E+01 0.62059644E+01 0.61618781E+01
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0.61181364E+01 0.60747293E+01 0.60316478E+01 0.59888836E+01 0.59464294E+01
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0.59042791E+01 0.58624270E+01 0.58208687E+01 0.57796001E+01 0.57386183E+01
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0.56979210E+01 0.56575064E+01 0.56173736E+01 0.55775220E+01 0.55379519E+01
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0.54986638E+01 0.54596589E+01 0.54209387E+01 0.53825052E+01 0.53443608E+01
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0.53065079E+01 0.52689496E+01 0.52316890E+01 0.51947295E+01 0.51580745E+01
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0.51217277E+01 0.50856927E+01 0.50499733E+01 0.50145731E+01 0.49794958E+01
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0.49447450E+01 0.49103240E+01 0.48762362E+01 0.48424846E+01 0.48090721E+01
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0.47760013E+01 0.47432747E+01 0.47108943E+01 0.46788621E+01 0.46471795E+01
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0.46158478E+01 0.45848680E+01 0.45542405E+01 0.45239656E+01 0.44940432E+01
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0.44644728E+01 0.44352535E+01 0.44063842E+01 0.43778632E+01 0.43496884E+01
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0.43218577E+01 0.42943681E+01 0.42672167E+01 0.42404000E+01 0.42139142E+01
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0.41877553E+01 0.41619188E+01 0.41364001E+01 0.41111941E+01 0.40862958E+01
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0.40616996E+01 0.40373999E+01 0.40133909E+01 0.39896665E+01 0.39662205E+01
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0.39430466E+01 0.39201384E+01 0.38974891E+01 0.38750922E+01 0.38529409E+01
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0.38310284E+01 0.38093479E+01 0.37878924E+01 0.37666553E+01 0.37456297E+01
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0.37248089E+01 0.37041861E+01 0.36837550E+01 0.36635090E+01 0.36434419E+01
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0.36235474E+01 0.36038197E+01 0.35842529E+01 0.35648414E+01 0.35455798E+01
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0.35264628E+01 0.35074854E+01 0.34886429E+01 0.34699306E+01 0.34513443E+01
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0.34328798E+01 0.34145333E+01 0.33963011E+01 0.33781800E+01 0.33601667E+01
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0.33422586E+01 0.33244529E+01 0.33067475E+01 0.32891403E+01 0.32716295E+01
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0.32542135E+01 0.32368910E+01 0.32196611E+01 0.32025227E+01 0.31854754E+01
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0.31685187E+01 0.31516523E+01 0.31348763E+01 0.31181906E+01 0.31015956E+01
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0.30850918E+01 0.30686796E+01 0.30523599E+01 0.30361335E+01 0.30200013E+01
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0.30039644E+01 0.29880240E+01 0.29721812E+01 0.29564375E+01 0.29407941E+01
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0.29252524E+01 0.29098140E+01 0.28944801E+01 0.28792523E+01 0.28641319E+01
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0.28491204E+01 0.28342191E+01 0.28194293E+01 0.28047522E+01 0.27901890E+01
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0.27757409E+01 0.27614088E+01 0.27471938E+01 0.27330967E+01 0.27191183E+01
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0.27052592E+01 0.26915201E+01 0.26779014E+01 0.26644035E+01 0.26510267E+01
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0.26377709E+01 0.26246363E+01 0.26116227E+01 0.25987298E+01 0.25859572E+01
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0.25733045E+01 0.25607708E+01 0.25483555E+01 0.25360576E+01 0.25238760E+01
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0.25118097E+01 0.24998574E+01 0.24880177E+01 0.24762891E+01 0.24646702E+01
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0.24531592E+01 0.24417544E+01 0.24304542E+01 0.24192565E+01 0.24081595E+01
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0.23971611E+01 0.23862593E+01 0.23754520E+01 0.23647370E+01 0.23541121E+01
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0.23435751E+01 0.23331238E+01 0.23227558E+01 0.23124689E+01 0.23022609E+01
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0.22921294E+01 0.22820723E+01 0.22720874E+01 0.22621724E+01 0.22523253E+01
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0.22425439E+01 0.22328263E+01 0.22231704E+01 0.22135743E+01 0.22040362E+01
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0.21945542E+01 0.21851267E+01 0.21757519E+01 0.21664283E+01 0.21571543E+01
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0.21479286E+01 0.21387497E+01 0.21296163E+01 0.21205275E+01 0.21114819E+01
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0.21024787E+01 0.20935170E+01 0.20845960E+01 0.20757150E+01 0.20668735E+01
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0.20580708E+01 0.20493066E+01 0.20405805E+01 0.20318923E+01 0.20232419E+01
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0.20146290E+01 0.20060538E+01 0.19975161E+01 0.19890162E+01 0.19805542E+01
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0.19721303E+01 0.19637448E+01 0.19553980E+01 0.19470903E+01 0.19388223E+01
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0.19305942E+01 0.19224068E+01 0.19142605E+01 0.19061559E+01 0.18980936E+01
|
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0.18900743E+01 0.18820986E+01 0.18741672E+01 0.18662806E+01 0.18584395E+01
|
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0.18506445E+01 0.18428963E+01 0.18351953E+01 0.18275423E+01 0.18199377E+01
|
|
0.18123820E+01 0.18048758E+01 0.17974195E+01 0.17900135E+01 0.17826582E+01
|
|
0.17753540E+01 0.17681011E+01 0.17609000E+01 0.17537507E+01 0.17466535E+01
|
|
0.17396085E+01 0.17326158E+01 0.17256753E+01 0.17187870E+01 0.17119509E+01
|
|
0.17051668E+01 0.16984343E+01 0.16917534E+01 0.16851236E+01 0.16785446E+01
|
|
0.16720159E+01 0.16655371E+01 0.16591078E+01 0.16527272E+01 0.16463948E+01
|
|
0.16401101E+01 0.16338723E+01 0.16276807E+01 0.16215346E+01 0.16154331E+01
|
|
0.16093756E+01 0.16033611E+01 0.15973889E+01 0.15914579E+01 0.15855673E+01
|
|
0.15797162E+01 0.15739035E+01 0.15681285E+01 0.15623901E+01 0.15566873E+01
|
|
0.15510193E+01 0.15453850E+01 0.15397836E+01 0.15342141E+01 0.15286756E+01
|
|
0.15231674E+01 0.15176884E+01 0.15122378E+01 0.15068149E+01 0.15014188E+01
|
|
0.14960487E+01 0.14907040E+01 0.14853838E+01 0.14800875E+01 0.14748144E+01
|
|
0.14695640E+01 0.14643355E+01 0.14591286E+01 0.14539426E+01 0.14487771E+01
|
|
0.14436318E+01 0.14385061E+01 0.14333999E+01 0.14283128E+01 0.14232445E+01
|
|
0.14181950E+01 0.14131640E+01 0.14081513E+01 0.14031570E+01 0.13981809E+01
|
|
0.13932230E+01 0.13882834E+01 0.13833621E+01 0.13784591E+01 0.13735746E+01
|
|
0.13687086E+01 0.13638615E+01 0.13590332E+01 0.13542241E+01 0.13494344E+01
|
|
0.13446644E+01 0.13399143E+01 0.13351844E+01 0.13304751E+01 0.13257867E+01
|
|
0.13211195E+01 0.13164739E+01 0.13118501E+01 0.13072485E+01 0.13026694E+01
|
|
0.12981133E+01 0.12935802E+01 0.12890707E+01 0.12845850E+01 0.12801233E+01
|
|
0.12756860E+01 0.12712732E+01 0.12668854E+01 0.12625227E+01 0.12581852E+01
|
|
0.12538734E+01 0.12495872E+01 0.12453269E+01 0.12410926E+01 0.12368845E+01
|
|
0.12327026E+01 0.12285469E+01 0.12244175E+01 0.12203144E+01 0.12162376E+01
|
|
0.12121870E+01 0.12081624E+01 0.12041639E+01 0.12001912E+01 0.11962441E+01
|
|
0.11923226E+01 0.11884263E+01 0.11845550E+01 0.11807085E+01 0.11768866E+01
|
|
0.11730888E+01 0.11693149E+01 0.11655645E+01 0.11618373E+01 0.11581330E+01
|
|
0.11544510E+01 0.11507910E+01 0.11471526E+01 0.11435353E+01 0.11399387E+01
|
|
0.11363623E+01 0.11328056E+01 0.11292682E+01 0.11257496E+01 0.11222493E+01
|
|
0.11187668E+01 0.11153017E+01 0.11118535E+01 0.11084218E+01 0.11050061E+01
|
|
0.11016060E+01 0.10982210E+01 0.10948508E+01 0.10914949E+01 0.10881528E+01
|
|
0.10848243E+01 0.10815090E+01 0.10782064E+01 0.10749162E+01 0.10716381E+01
|
|
0.10683719E+01 0.10651171E+01 0.10618735E+01 0.10586409E+01 0.10554191E+01
|
|
0.10522079E+01 0.10490070E+01 0.10458164E+01 0.10426359E+01 0.10394655E+01
|
|
0.10363049E+01 0.10331543E+01 0.10300134E+01 0.10268823E+01 0.10237610E+01
|
|
0.10206495E+01 0.10175478E+01 0.10144560E+01 0.10113740E+01 0.10083021E+01
|
|
0.10052402E+01 0.10021885E+01 0.99914714E+00 0.99611621E+00 0.99309589E+00
|
|
0.99008634E+00 0.98708774E+00 0.98410027E+00 0.98112413E+00 0.97815951E+00
|
|
0.97520661E+00 0.97226562E+00 0.96933675E+00 0.96642019E+00 0.96351614E+00
|
|
0.96062478E+00 0.95774630E+00 0.95488089E+00 0.95202871E+00 0.94918995E+00
|
|
0.94636476E+00 0.94355331E+00 0.94075575E+00 0.93797223E+00 0.93520289E+00
|
|
0.93244784E+00 0.92970721E+00 0.92698109E+00 0.92426956E+00 0.92157269E+00
|
|
0.91889054E+00 0.91622314E+00 0.91357050E+00 0.91093262E+00 0.90830949E+00
|
|
0.90570106E+00 0.90310729E+00 0.90052811E+00 0.89796345E+00 0.89541321E+00
|
|
0.89287729E+00 0.89035557E+00 0.88784791E+00 0.88535419E+00 0.88287423E+00
|
|
0.88040789E+00 0.87795497E+00 0.87551528E+00 0.87308863E+00 0.87067478E+00
|
|
0.86827352E+00 0.86588461E+00 0.86350779E+00 0.86114282E+00 0.85878943E+00
|
|
0.85644736E+00 0.85411635E+00 0.85179612E+00 0.84948640E+00 0.84718694E+00
|
|
0.84489746E+00 0.84261771E+00 0.84034742E+00 0.83808635E+00 0.83583425E+00
|
|
0.83359087E+00 0.83135597E+00 0.82912931E+00 0.82691066E+00 0.82469979E+00
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|
0.82249649E+00 0.82030055E+00 0.81811175E+00 0.81592992E+00 0.81375487E+00
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|
0.81158643E+00 0.80942446E+00 0.80726880E+00 0.80511934E+00 0.80297596E+00
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|
0.80083857E+00 0.79870709E+00 0.79658144E+00 0.79446158E+00 0.79234745E+00
|
|
0.79023903E+00 0.78813629E+00 0.78603922E+00 0.78394782E+00 0.78186210E+00
|
|
0.77978208E+00 0.77770779E+00 0.77563927E+00 0.77357657E+00 0.77151975E+00
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|
0.76946888E+00 0.76742405E+00 0.76538535E+00 0.76335287E+00 0.76132673E+00
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|
0.75930705E+00 0.75729394E+00 0.75528753E+00 0.75328794E+00 0.75129530E+00
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|
0.74930974E+00 0.74733139E+00 0.74536037E+00 0.74339680E+00 0.74144081E+00
|
|
0.73949251E+00 0.73755203E+00 0.73561946E+00 0.73369493E+00 0.73177855E+00
|
|
0.72987041E+00 0.72797062E+00 0.72607928E+00 0.72419647E+00 0.72232228E+00
|
|
0.72045679E+00 0.71860006E+00 0.71675215E+00 0.71491311E+00 0.71308297E+00
|
|
0.71126177E+00 0.70944951E+00 0.70764620E+00 0.70585183E+00 0.70406639E+00
|
|
0.70228984E+00 0.70052215E+00 0.69876327E+00 0.69701316E+00 0.69527176E+00
|
|
0.69353898E+00 0.69181477E+00 0.69009904E+00 0.68839170E+00 0.68669266E+00
|
|
0.68500179E+00 0.68331900E+00 0.68164416E+00 0.67997714E+00 0.67831780E+00
|
|
0.67666600E+00 0.67502159E+00 0.67338440E+00 0.67175430E+00 0.67013110E+00
|
|
0.66851466E+00 0.66690480E+00 0.66530138E+00 0.66370421E+00 0.66211316E+00
|
|
0.66052805E+00 0.65894874E+00 0.65737507E+00 0.65580690E+00 0.65424407E+00
|
|
0.65268644E+00 0.65113387E+00 0.64958621E+00 0.64804334E+00 0.64650511E+00
|
|
0.64497140E+00 0.64344209E+00 0.64191706E+00 0.64039619E+00 0.63887940E+00
|
|
0.63736658E+00 0.63585766E+00 0.63435256E+00 0.63285122E+00 0.63135357E+00
|
|
0.62985959E+00 0.62836922E+00 0.62688244E+00 0.62539922E+00 0.62391956E+00
|
|
0.62244343E+00 0.62097084E+00 0.61950179E+00 0.61803628E+00 0.61657434E+00
|
|
0.61511598E+00 0.61366123E+00 0.61221013E+00 0.61076271E+00 0.60931902E+00
|
|
0.60787913E+00 0.60644308E+00 0.60501096E+00 0.60358282E+00 0.60215875E+00
|
|
0.60073883E+00 0.59932314E+00 0.59791176E+00 0.59650478E+00 0.59510227E+00
|
|
0.59370433E+00 0.59231102E+00 0.59092244E+00 0.58953865E+00 0.58815974E+00
|
|
0.58678578E+00 0.58541684E+00 0.58405299E+00 0.58269431E+00 0.58134086E+00
|
|
0.57999270E+00 0.57864992E+00 0.57731255E+00 0.57598067E+00 0.57465432E+00
|
|
0.57333354E+00 0.57201838E+00 0.57070887E+00 0.56940504E+00 0.56810690E+00
|
|
0.56681446E+00 0.56552773E+00 0.56424670E+00 0.56297136E+00 0.56170171E+00
|
|
0.56043770E+00 0.55917933E+00 0.55792655E+00 0.55667934E+00 0.55543765E+00
|
|
0.55420144E+00 0.55297066E+00 0.55174525E+00 0.55052516E+00 0.54931033E+00
|
|
0.54810067E+00 0.54689613E+00 0.54569661E+00 0.54450203E+00 0.54331230E+00
|
|
0.54212732E+00 0.54094701E+00 0.53977125E+00 0.53859995E+00 0.53743300E+00
|
|
0.53627030E+00 0.53511175E+00 0.53395725E+00 0.53280670E+00 0.53166001E+00
|
|
0.53051707E+00 0.52937779E+00 0.52824208E+00 0.52710985E+00 0.52598100E+00
|
|
0.52485544E+00 0.52373309E+00 0.52261386E+00 0.52149766E+00 0.52038442E+00
|
|
0.51927404E+00 0.51816647E+00 0.51706162E+00 0.51595943E+00 0.51485985E+00
|
|
0.51376283E+00 0.51266831E+00 0.51157626E+00 0.51048664E+00 0.50939942E+00
|
|
0.50831459E+00 0.50723212E+00 0.50615200E+00 0.50507422E+00 0.50399878E+00
|
|
0.50292568E+00 0.50185491E+00 0.50078648E+00 0.49972040E+00 0.49865668E+00
|
|
0.49759535E+00 0.49653642E+00 0.49547992E+00 0.49442588E+00 0.49337434E+00
|
|
0.49232534E+00 0.49127893E+00 0.49023515E+00 0.48919406E+00 0.48815570E+00
|
|
0.48712014E+00 0.48608743E+00 0.48505763E+00 0.48403078E+00 0.48300695E+00
|
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0.48198619E+00 0.48096854E+00 0.47995407E+00 0.47894282E+00 0.47793484E+00
|
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0.47693018E+00 0.47592888E+00 0.47493101E+00 0.47393659E+00 0.47294568E+00
|
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0.47195832E+00 0.47097455E+00 0.46999442E+00 0.46901796E+00 0.46804520E+00
|
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0.46707617E+00 0.46611089E+00 0.46514938E+00 0.46419166E+00 0.46323774E+00
|
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0.46228761E+00 0.46134127E+00 0.46039873E+00 0.45945997E+00 0.45852497E+00
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0.45759373E+00 0.45666623E+00 0.45574243E+00 0.45482233E+00 0.45390588E+00
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0.45299307E+00 0.45208386E+00 0.45117821E+00 0.45027608E+00 0.44937743E+00
|
|
0.44848221E+00 0.44759036E+00 0.44670184E+00 0.44581658E+00 0.44493453E+00
|
|
core charge-density (partial)
|
|
0.22410549E+01 0.22405220E+01 0.22389243E+01 0.22362638E+01 0.22325439E+01
|
|
0.22277698E+01 0.22219476E+01 0.22150850E+01 0.22071912E+01 0.21982764E+01
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0.21883524E+01 0.21774323E+01 0.21655302E+01 0.21526617E+01 0.21388435E+01
|
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0.21240934E+01 0.21084305E+01 0.20918748E+01 0.20744476E+01 0.20561710E+01
|
|
0.20370681E+01 0.20171629E+01 0.19964803E+01 0.19750462E+01 0.19528869E+01
|
|
0.19300296E+01 0.19065023E+01 0.18823333E+01 0.18575518E+01 0.18321872E+01
|
|
0.18062695E+01 0.17798290E+01 0.17528965E+01 0.17255027E+01 0.16976790E+01
|
|
0.16694566E+01 0.16408669E+01 0.16119414E+01 0.15827116E+01 0.15532088E+01
|
|
0.15234644E+01 0.14935095E+01 0.14633750E+01 0.14330915E+01 0.14026895E+01
|
|
0.13721989E+01 0.13416492E+01 0.13110697E+01 0.12804890E+01 0.12499352E+01
|
|
0.12194358E+01 0.11890180E+01 0.11587079E+01 0.11285313E+01 0.10985131E+01
|
|
0.10686776E+01 0.10390483E+01 0.10096479E+01 0.98049831E+00 0.95162068E+00
|
|
0.92303529E+00 0.89476154E+00 0.86681802E+00 0.83922241E+00 0.81199152E+00
|
|
0.78514126E+00 0.75868665E+00 0.73264181E+00 0.70701995E+00 0.68183339E+00
|
|
0.65709354E+00 0.63281091E+00 0.60899513E+00 0.58565494E+00 0.56279821E+00
|
|
0.54043193E+00 0.51856226E+00 0.49719451E+00 0.47633315E+00 0.45598185E+00
|
|
0.43614351E+00 0.41682022E+00 0.39801332E+00 0.37972343E+00 0.36195045E+00
|
|
0.34469358E+00 0.32795135E+00 0.31172163E+00 0.29600169E+00 0.28078819E+00
|
|
0.26607720E+00 0.25186426E+00 0.23814437E+00 0.22491203E+00 0.21216128E+00
|
|
0.19988569E+00 0.18807843E+00 0.17673226E+00 0.16583957E+00 0.15539241E+00
|
|
0.14538251E+00 0.13580130E+00 0.12663995E+00 0.11788938E+00 0.10954030E+00
|
|
0.10158320E+00 0.94008425E-01 0.86806159E-01 0.79966459E-01 0.73479280E-01
|
|
0.67334494E-01 0.61521908E-01 0.56031290E-01 0.50852383E-01 0.45974927E-01
|
|
0.41388678E-01 0.37083421E-01 0.33048992E-01 0.29275288E-01 0.25752291E-01
|
|
0.22470073E-01 0.19418814E-01 0.16588818E-01 0.13970520E-01 0.11554500E-01
|
|
0.93314931E-02 0.72924001E-02 0.54282964E-02 0.37304404E-02 0.21902815E-02
|
|
0.79946690E-03 -0.45015193E-03 -0.15665135E-02 -0.25573413E-02 -0.34301396E-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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|
|
0.66339546E-03 0.77191731E-03 0.86880397E-03 0.95434300E-03 0.10288583E-02
|
|
0.10927060E-02 0.11462706E-02 0.11899612E-02 0.12242077E-02 0.12494577E-02
|
|
0.12661729E-02 0.12748262E-02 0.12758989E-02 0.12698775E-02 0.12572514E-02
|
|
0.12385105E-02 0.12141429E-02 0.11846325E-02 0.11504574E-02 0.11120880E-02
|
|
0.10699851E-02 0.10245989E-02 0.97636696E-03 0.92571360E-03 0.87304845E-03
|
|
0.81876558E-03 0.76324269E-03 0.70684036E-03 0.64990150E-03 0.59275081E-03
|
|
0.53569444E-03 0.47901971E-03 0.42299494E-03 0.36786934E-03 0.31387304E-03
|
|
0.26121714E-03 0.21009389E-03 0.16067693E-03 0.11312156E-03 0.67565101E-04
|
|
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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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|
|
0.45169526E-04 0.55389802E-04 0.64887867E-04 0.73649447E-04 0.81664390E-04
|
|
0.88926520E-04 0.95433491E-04 0.10118662E-03 0.10619073E-03 0.11045396E-03
|
|
0.11398757E-03 0.11680579E-03 0.11892559E-03 0.12036647E-03 0.12115033E-03
|
|
0.12130117E-03 0.12084498E-03 0.11980947E-03 0.11822389E-03 0.11611886E-03
|
|
0.11352613E-03 0.11047840E-03 0.10700914E-03 0.10315240E-03 0.98942631E-04
|
|
0.94414511E-04 0.89602776E-04 0.84542059E-04 0.79266740E-04 0.73810798E-04
|
|
0.68207673E-04 0.62490136E-04 0.56690167E-04 0.50838844E-04 0.44966234E-04
|
|
0.39101302E-04 0.33271820E-04 0.27504290E-04 0.21823877E-04 0.16254342E-04
|
|
0.10817997E-04 0.55356548E-05 0.42659866E-06 -0.44914483E-05 -0.92023409E-05
|
|
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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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|
|
0.38232815E-05 0.58167554E-05 0.77173394E-05 0.95191811E-05 0.11217078E-04
|
|
0.12806478E-04 0.14283481E-04 0.15644831E-04 0.16887913E-04 0.18010743E-04
|
|
0.19011952E-04 0.19890779E-04 0.20647049E-04 0.21281156E-04 0.21794045E-04
|
|
0.22187187E-04 0.22462555E-04 0.22622603E-04 0.22670234E-04 0.22608777E-04
|
|
0.22441955E-04 0.22173859E-04 0.21808913E-04 0.21351850E-04 0.20807674E-04
|
|
0.20181634E-04 0.19479190E-04 0.18705983E-04 0.17867802E-04 0.16970556E-04
|
|
0.16020241E-04 0.15022913E-04 0.13984655E-04 0.12911553E-04 0.11809665E-04
|
|
0.10684997E-04 0.95434753E-05 0.83909234E-05 0.72330394E-05 0.60753729E-05
|
|
0.49233051E-05 0.37820295E-05 0.26565341E-05 0.15515850E-05 0.47171157E-06
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|
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|
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|
|
0.21390573E-05 0.25975198E-05 0.30319933E-05 0.34411041E-05 0.38236302E-05
|
|
0.41785021E-05 0.45048044E-05 0.48017751E-05 0.50688057E-05 0.53054394E-05
|
|
0.55113697E-05 0.56864371E-05 0.58306270E-05 0.59440652E-05 0.60270141E-05
|
|
0.60798680E-05 0.61031479E-05 0.60974957E-05 0.60636686E-05 0.60025325E-05
|
|
0.59150554E-05 0.58023006E-05 0.56654193E-05 0.55056432E-05 0.53242773E-05
|
|
0.51226916E-05 0.49023140E-05 0.46646217E-05 0.44111342E-05 0.41434045E-05
|
|
0.38630120E-05 0.35715543E-05 0.32706400E-05 0.29618808E-05 0.26468844E-05
|
|
0.23272475E-05 0.20045487E-05 0.16803417E-05 0.13561495E-05 0.10334577E-05
|
|
0.71370939E-06 0.39829897E-06 0.88567679E-07 -0.21420138E-06 -0.50878757E-06
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|
-0.79403668E-06 -0.10688645E-05 -0.13322599E-05 -0.15832878E-05 -0.18210916E-05
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-0.20448947E-05 -0.22540026E-05 -0.24478037E-05 -0.26257704E-05 -0.27874593E-05
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-0.70174189E-06 -0.51495504E-06 -0.32989271E-06 -0.14736198E-06 0.31859385E-07
|
|
0.20702585E-06 0.37742669E-06 0.54238846E-06 0.70127715E-06 0.85350020E-06
|
|
0.99850823E-06 0.11357965E-05 0.12649064E-05 0.13854261E-05 0.14969918E-05
|
|
0.15992881E-05 0.16920482E-05 0.17750545E-05 0.18481379E-05 0.19111780E-05
|
|
0.19641023E-05 0.20068857E-05 0.20395493E-05 0.20621596E-05 0.20748269E-05
|
|
0.20777043E-05 0.20709856E-05 0.20549040E-05 0.20297300E-05 0.19957693E-05
|
|
0.19533610E-05 0.19028749E-05 0.18447097E-05 0.17792904E-05 0.17070657E-05
|
|
0.16285057E-05 0.15440992E-05 0.14543513E-05 0.13597808E-05 0.12609173E-05
|
|
0.11582988E-05 0.10524695E-05 0.94397640E-06 0.83336761E-06 0.72118942E-06
|
|
0.60798403E-06 0.49428720E-06 0.38062599E-06 0.26751657E-06 0.15546213E-06
|
|
0.44950888E-07 -0.63545765E-07 -0.16957507E-06 -0.27270453E-06 -0.37252346E-06
|
|
-0.46864436E-06 -0.56070420E-06 -0.64836559E-06 -0.73131771E-06 -0.80927724E-06
|
|
-0.88198904E-06 -0.94922676E-06 -0.10107933E-05 -0.10665210E-05 -0.11162719E-05
|
|
-0.11599379E-05 -0.11974404E-05 -0.12287303E-05 -0.12537873E-05 -0.12726198E-05
|
|
-0.12852643E-05 -0.12917842E-05 -0.12922696E-05 -0.12868358E-05 -0.12756230E-05
|
|
-0.12587943E-05 -0.12365352E-05 -0.12090522E-05 -0.11765711E-05 -0.11393361E-05
|
|
-0.10976082E-05 -0.10516632E-05 -0.10017911E-05 -0.94829379E-06 -0.89148366E-06
|
|
-0.83168214E-06 -0.76921793E-06 -0.70442548E-06 -0.63764329E-06 -0.56921239E-06
|
|
-0.49947475E-06 -0.42877169E-06 -0.35744239E-06 -0.28582245E-06 -0.21424236E-06
|
|
-0.14302621E-06 -0.72490301E-07 -0.29419177E-08 0.65321917E-07 0.13201555E-06
|
|
0.19686579E-06 0.25961287E-06 0.32001137E-06 0.37783104E-06 0.43285758E-06
|
|
0.48489327E-06 0.53375755E-06 0.57928752E-06 0.62133833E-06 0.65978353E-06
|
|
0.69451525E-06 0.72544434E-06 0.75250049E-06 0.77563210E-06 0.79480626E-06
|
|
0.81000847E-06 0.82124245E-06 0.82852970E-06 0.83190916E-06 0.83143664E-06
|
|
0.82718432E-06 0.81924009E-06 0.80770688E-06 0.79270193E-06 0.77435598E-06
|
|
0.75281245E-06 0.72822657E-06 0.70076445E-06 0.67060215E-06 0.63792471E-06
|
|
0.60292514E-06 0.56580343E-06 0.52676551E-06 0.48602223E-06 0.44378830E-06
|
|
0.40028131E-06 0.35572066E-06 0.31032655E-06 0.26431900E-06 0.21791685E-06
|
|
0.17133684E-06 0.12479261E-06 0.78493874E-07 0.32645529E-07 -0.12553184E-07
|
|
-0.56909455E-07 -0.10023765E-06 -0.14236000E-06 -0.18310728E-06 -0.22231938E-06
|
|
-0.25984586E-06 -0.29554646E-06 -0.32929155E-06 -0.36096249E-06 -0.39045200E-06
|
|
-0.41766439E-06 -0.44251586E-06 -0.46493457E-06 -0.48486085E-06 -0.50224718E-06
|
|
-0.51705822E-06 -0.52927078E-06 -0.53887368E-06 -0.54586764E-06 -0.55026504E-06
|
|
-0.55208967E-06 -0.55137646E-06 -0.54817113E-06 -0.54252981E-06 -0.53451860E-06
|
|
-0.52421314E-06 -0.51169811E-06 -0.49706670E-06 -0.48042004E-06 -0.46186668E-06
|
|
-0.44152191E-06 -0.41950721E-06 -0.39594955E-06 -0.37098076E-06 -0.34473689E-06
|
|
-0.31735749E-06 -0.28898494E-06 -0.25976381E-06 -0.22984011E-06 -0.19936067E-06
|
|
-0.16847245E-06 -0.13732187E-06 -0.10605416E-06 -0.74812736E-07 -0.43738601E-07
|
|
-0.12969716E-07 0.17359556E-07 0.47118995E-07 0.76183050E-07 0.10443133E-06
|
|
0.13174906E-06 0.15802751E-06 0.18316441E-06 0.20706425E-06 0.22963869E-06
|
|
0.25080676E-06 0.27049516E-06 0.28863845E-06 0.30517921E-06 0.32006821E-06
|
|
0.33326445E-06 0.34473523E-06 0.35445620E-06 0.36241128E-06 0.36859263E-06
|
|
0.37300055E-06 0.37564336E-06 0.37653720E-06 0.37570586E-06 0.37318054E-06
|
|
0.36899960E-06 0.36320824E-06 0.35585823E-06 0.34700756E-06 0.33672004E-06
|
|
0.32506498E-06 0.31211674E-06 0.29795434E-06 0.28266103E-06 0.26632385E-06
|
|
0.24903315E-06 0.23088216E-06 0.21196653E-06 0.19238384E-06 0.17223312E-06
|
|
0.15161444E-06 0.13062838E-06 0.10937558E-06 0.87956335E-07 0.66470095E-07
|
|
0.45015055E-07 0.23687730E-07 0.25825474E-08 -0.18208544E-07 -0.38596450E-07
|
|
-0.58495287E-07 -0.77822718E-07 -0.96500264E-07 -0.11445360E-06 -0.13161283E-06
|
|
-0.14791271E-06 -0.16329289E-06 -0.17769812E-06 -0.19107836E-06 -0.20338901E-06
|
|
-0.21459095E-06 -0.22465065E-06 -0.23354027E-06 -0.24123764E-06 -0.24772630E-06
|
|
-0.25299550E-06 -0.25704012E-06 -0.25986061E-06 -0.26146293E-06 -0.26185842E-06
|
|
-0.26106364E-06 -0.25910026E-06 -0.25599483E-06 -0.25177864E-06 -0.24648744E-06
|
|
-0.24016128E-06 -0.23284421E-06 -0.22458404E-06 -0.21543206E-06 -0.20544280E-06
|
|
-0.19467365E-06 -0.18318464E-06 -0.17103811E-06 -0.15829838E-06 -0.14503143E-06
|
|
-0.13130464E-06 -0.11718638E-06 -0.10274578E-06 -0.88052364E-07 -0.73175736E-07
|
|
-0.58185300E-07 -0.43149936E-07 -0.28137714E-07 -0.13215603E-07 0.15508056E-08
|
|
0.16097565E-07 0.30362632E-07 0.44286108E-07 0.57810474E-07 0.70880809E-07
|
|
0.83444992E-07 0.95453891E-07 0.10686154E-06 0.11762529E-06 0.12770596E-06
|
|
0.13706795E-06 0.14567936E-06 0.15351208E-06 0.16054185E-06 0.16674831E-06
|
|
0.17211507E-06 0.17662971E-06 0.18028378E-06 0.18307276E-06 0.18499610E-06
|
|
0.18605710E-06 0.18626287E-06 0.18562427E-06 0.18415578E-06 0.18187541E-06
|
|
0.17880455E-06 0.17496786E-06 0.17039312E-06 0.16511103E-06 0.15915505E-06
|
|
0.15256126E-06 0.14536807E-06 0.13761611E-06 0.12934796E-06 0.12060798E-06
|
|
0.11144202E-06 0.10189726E-06 0.92021957E-07 0.81865191E-07 0.71476662E-07
|
|
0.60906443E-07 0.50204751E-07 0.39421719E-07 0.28607169E-07 0.17810390E-07
|
|
0.70799265E-08 -0.35366382E-08 -0.13992879E-07 -0.24243726E-07 -0.34245647E-07
|
|
-0.43956830E-07 -0.53337339E-07 -0.62349280E-07 -0.70956934E-07 -0.79126897E-07
|
|
-0.86828194E-07 -0.94032384E-07 -0.10071366E-06 -0.10684893E-06 -0.11241786E-06
|
|
-0.11740297E-06 -0.12178963E-06 -0.12556613E-06 -0.12872364E-06 -0.13125626E-06
|
|
-0.13316098E-06 -0.13443766E-06 -0.13508899E-06 -0.13512044E-06 -0.13454019E-06
|
|
-0.13335907E-06 -0.13159049E-06 -0.12925028E-06 -0.12635666E-06 -0.12293010E-06
|
|
-0.11899319E-06 -0.11457049E-06 -0.10968844E-06 -0.10437520E-06 -0.98660483E-07
|
|
-0.92575407E-07 -0.86152352E-07 -0.79424781E-07 -0.72427085E-07 -0.65194411E-07
|
|
-0.57762495E-07 -0.50167495E-07 -0.42445821E-07 -0.34633968E-07 -0.26768352E-07
|
|
-0.18885146E-07 -0.11020120E-07 -0.32084881E-08 0.45152479E-08 0.12117439E-07
|
|
0.19565433E-07 0.26827705E-07 0.33873985E-07 0.40675381E-07 0.47204484E-07
|
|
0.53435477E-07 0.59344223E-07 0.64908360E-07 0.70107368E-07 0.74922640E-07
|
|
0.79337542E-07 0.83337455E-07 0.86909817E-07 0.90044150E-07 0.92732076E-07
|
|
0.94967330E-07 0.96745755E-07 0.98065293E-07 0.98925968E-07 0.99329852E-07
|
|
0.99281031E-07 0.98785561E-07 0.97851412E-07 0.96488406E-07 0.94708151E-07
|
|
0.92523963E-07 0.89950788E-07 0.87005110E-07 0.83704861E-07 0.80069321E-07
|
|
0.76119018E-07 0.71875619E-07 0.67361820E-07 0.62601235E-07 0.57618280E-07
|
|
0.52438053E-07 0.47086221E-07 0.41588893E-07 0.35972505E-07 0.30263698E-07
|
|
0.24489200E-07 0.18675705E-07 0.12849756E-07 0.70376325E-08 0.12652359E-08
|
|
-0.44420203E-08 -0.10059317E-07 -0.15562532E-07 -0.20928340E-07 -0.26134305E-07
|
|
-0.31158973E-07 -0.35981953E-07 -0.40583996E-07 -0.44947074E-07 -0.49054438E-07
|
|
-0.52890686E-07 -0.56441812E-07 -0.59695259E-07 -0.62639953E-07 -0.65266340E-07
|
|
-0.67566412E-07 -0.69533726E-07 -0.71163415E-07 -0.72452190E-07 -0.73398341E-07
|
|
-0.74001726E-07 -0.74263751E-07 -0.74187347E-07 -0.73776942E-07 -0.73038418E-07
|
|
-0.71979071E-07 -0.70607560E-07 -0.68933851E-07 -0.66969155E-07 -0.64725863E-07
|
|
-0.62217474E-07 -0.59458522E-07 -0.56464494E-07 -0.53251750E-07 -0.49837434E-07
|
|
kinetic energy density (partial)
|
|
0.41619020E+03 0.41609257E+03 0.41579978E+03 0.41531223E+03 0.41463055E+03
|
|
0.41375563E+03 0.41268860E+03 0.41143084E+03 0.40998399E+03 0.40834992E+03
|
|
0.40653073E+03 0.40452877E+03 0.40234660E+03 0.39998703E+03 0.39745305E+03
|
|
0.39474790E+03 0.39187499E+03 0.38883797E+03 0.38564063E+03 0.38228698E+03
|
|
0.37878119E+03 0.37512761E+03 0.37133072E+03 0.36739518E+03 0.36332578E+03
|
|
0.35912743E+03 0.35480518E+03 0.35036417E+03 0.34580967E+03 0.34114701E+03
|
|
0.33638163E+03 0.33151904E+03 0.32656478E+03 0.32152449E+03 0.31640381E+03
|
|
0.31120845E+03 0.30594410E+03 0.30061651E+03 0.29523140E+03 0.28979449E+03
|
|
0.28431148E+03 0.27878806E+03 0.27322987E+03 0.26764252E+03 0.26203155E+03
|
|
0.25640245E+03 0.25076065E+03 0.24511148E+03 0.23946022E+03 0.23381202E+03
|
|
0.22817195E+03 0.22254499E+03 0.21693598E+03 0.21134966E+03 0.20579064E+03
|
|
0.20026341E+03 0.19477232E+03 0.18932159E+03 0.18391527E+03 0.17855731E+03
|
|
0.17325148E+03 0.16800139E+03 0.16281053E+03 0.15768221E+03 0.15261957E+03
|
|
0.14762561E+03 0.14270317E+03 0.13785490E+03 0.13308332E+03 0.12839076E+03
|
|
0.12377941E+03 0.11925127E+03 0.11480819E+03 0.11045188E+03 0.10618385E+03
|
|
0.10200548E+03 0.97917991E+02 0.93922437E+02 0.90019729E+02 0.86210628E+02
|
|
0.82495749E+02 0.78875561E+02 0.75350395E+02 0.71920446E+02 0.68585775E+02
|
|
0.65346313E+02 0.62201868E+02 0.59152125E+02 0.56196652E+02 0.53334907E+02
|
|
0.50566236E+02 0.47889883E+02 0.45304994E+02 0.42810618E+02 0.40405714E+02
|
|
0.38089158E+02 0.35859743E+02 0.33716187E+02 0.31657136E+02 0.29681171E+02
|
|
0.27786809E+02 0.25972511E+02 0.24236685E+02 0.22577691E+02 0.20993845E+02
|
|
0.19483424E+02 0.18044671E+02 0.16675796E+02 0.15374986E+02 0.14140403E+02
|
|
0.12970192E+02 0.11862483E+02 0.10815395E+02 0.98270423E+01 0.88955329E+01
|
|
0.80189766E+01 0.71954859E+01 0.64231801E+01 0.57001880E+01 0.50246507E+01
|
|
0.43947247E+01 0.38085842E+01 0.32644241E+01 0.27604617E+01 0.22949395E+01
|
|
0.18661269E+01 0.14723226E+01 0.11118558E+01 0.78308836E+00 0.48441632E+00
|
|
0.21427104E+00 -0.28879269E-01 -0.24652851E+00 -0.44013160E+00 -0.61110362E+00
|
|
-0.76081897E+00 -0.89061075E+00 -0.10017702E+01 -0.10955462E+01 -0.11731449E+01
|
|
-0.12357298E+01 -0.12844212E+01 -0.13202964E+01 -0.13443896E+01 -0.13576923E+01
|
|
-0.13611533E+01 -0.13556792E+01 -0.13421345E+01 -0.13213425E+01 -0.12940853E+01
|
|
-0.12611050E+01 -0.12231039E+01 -0.11807452E+01 -0.11346541E+01 -0.10854184E+01
|
|
-0.10335894E+01 -0.97968279E+00 -0.92417954E+00 -0.86752696E+00 -0.81013964E+00
|
|
-0.75240048E+00 -0.69466175E+00 -0.63724614E+00 -0.58044780E+00 -0.52453352E+00
|
|
-0.46974373E+00 -0.41629367E+00 -0.36437444E+00 -0.31415416E+00 -0.26577902E+00
|
|
-0.21937441E+00 -0.17504601E+00 -0.13288081E+00 -0.92948260E-01 -0.55301247E-01
|
|
-0.19977167E-01 0.13001077E-01 0.43624073E-01 0.71894935E-01 0.97828348E-01
|
|
0.12144965E+00 0.14279392E+00 0.16190513E+00 0.17883527E+00 0.19364356E+00
|
|
0.20639565E+00 0.21716286E+00 0.22602146E+00 0.23305199E+00 0.23833856E+00
|
|
0.24196823E+00 0.24403044E+00 0.24461640E+00 0.24381857E+00 0.24173013E+00
|
|
0.23844456E+00 0.23405512E+00 0.22865448E+00 0.22233434E+00 0.21518504E+00
|
|
0.20729524E+00 0.19875167E+00 0.18963877E+00 0.18003854E+00 0.17003023E+00
|
|
0.15969023E+00 0.14909182E+00 0.13830511E+00 0.12739684E+00 0.11643031E+00
|
|
0.10546531E+00 0.94558057E-01 0.83761122E-01 0.73123444E-01 0.62690302E-01
|
|
0.52503331E-01 0.42600545E-01 0.33016376E-01 0.23781722E-01 0.14924014E-01
|
|
0.64672890E-02 -0.15677256E-02 -0.91635165E-02 -0.16305683E-01 -0.22982825E-01
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-0.12070473E-04 -0.11516530E-04 -0.10917746E-04 -0.10277356E-04 -0.95987316E-05
|
|
atomic pseudo charge-density
|
|
0.12000000E+02 0.11981678E+02 0.11927033E+02 0.11837017E+02 0.11713172E+02
|
|
0.11557565E+02 0.11372709E+02 0.11161465E+02 0.10926940E+02 0.10672380E+02
|
|
0.10401068E+02 0.10116236E+02 0.98209794E+01 0.95181959E+01 0.92105341E+01
|
|
0.89003612E+01 0.85897447E+01 0.82804484E+01 0.79739392E+01 0.76714038E+01
|
|
0.73737713E+01 0.70817411E+01 0.67958131E+01 0.65163184E+01 0.62434494E+01
|
|
0.59772885E+01 0.57178339E+01 0.54650221E+01 0.52187485E+01 0.49788830E+01
|
|
0.47452839E+01 0.45178076E+01 0.42963172E+01 0.40806871E+01 0.38708067E+01
|
|
0.36665824E+01 0.34679375E+01 0.32748123E+01 0.30871621E+01 0.29049558E+01
|
|
0.27281735E+01 0.25568042E+01 0.23908431E+01 0.22302895E+01 0.20751445E+01
|
|
0.19254086E+01 0.17810802E+01 0.16421537E+01 0.15086181E+01 0.13804560E+01
|
|
0.12576425E+01 0.11401448E+01 0.10279213E+01 0.92092147E+00 0.81908607E+00
|
|
0.72234672E+00 0.63062633E+00 0.54383932E+00 0.46189202E+00 0.38468317E+00
|
|
0.31210437E+00 0.24404075E+00 0.18037153E+00 0.12097066E+00 0.65707510E-01
|
|
0.14447481E-01 -0.32947316E-01 -0.76617426E-01 -0.11670542E+00 -0.15335530E+00
|
|
-0.18671189E+00 -0.21692033E+00 -0.24412551E+00 -0.26847161E+00 -0.29010162E+00
|
|
-0.30915693E+00 -0.32577694E+00 -0.34009868E+00 -0.35225656E+00 -0.36238197E+00
|
|
-0.37060315E+00 -0.37704486E+00 -0.38182823E+00 -0.38507063E+00 -0.38688544E+00
|
|
-0.38738205E+00 -0.38666568E+00 -0.38483735E+00 -0.38199387E+00 -0.37822776E+00
|
|
-0.37362728E+00 -0.36827646E+00 -0.36225506E+00 -0.35563871E+00 -0.34849889E+00
|
|
-0.34090303E+00 -0.33291459E+00 -0.32459313E+00 -0.31599443E+00 -0.30717059E+00
|
|
-0.29817010E+00 -0.28903802E+00 -0.27981605E+00 -0.27054267E+00 -0.26125327E+00
|
|
-0.25198025E+00 -0.24275317E+00 -0.23359890E+00 -0.22454170E+00 -0.21560338E+00
|
|
-0.20680341E+00 -0.19815906E+00 -0.18968551E+00 -0.18139600E+00 -0.17330191E+00
|
|
-0.16541289E+00 -0.15773699E+00 -0.15028075E+00 -0.14304932E+00 -0.13604655E+00
|
|
-0.12927509E+00 -0.12273651E+00 -0.11643137E+00 -0.11035929E+00 -0.10451908E+00
|
|
-0.98908797E-01 -0.93525798E-01 -0.88366853E-01 -0.83428187E-01 -0.78705557E-01
|
|
-0.74194304E-01 -0.69889418E-01 -0.65785585E-01 -0.61877244E-01 -0.58158625E-01
|
|
-0.54623800E-01 -0.51266720E-01 -0.48081249E-01 -0.45061204E-01 -0.42200380E-01
|
|
-0.39492583E-01 -0.36931652E-01 -0.34511483E-01 -0.32226052E-01 -0.30069428E-01
|
|
-0.28035795E-01 -0.26119464E-01 -0.24314881E-01 -0.22616645E-01 -0.21019510E-01
|
|
-0.19518394E-01 -0.18108387E-01 -0.16784753E-01 -0.15542932E-01 -0.14378544E-01
|
|
-0.13287388E-01 -0.12265443E-01 -0.11308865E-01 -0.10413989E-01 -0.95773198E-02
|
|
-0.87955356E-02 -0.80654800E-02 -0.73841588E-02 -0.67487356E-02 -0.61565260E-02
|
|
-0.56049930E-02 -0.50917411E-02 -0.46145104E-02 -0.41711708E-02 -0.37597164E-02
|
|
-0.33782590E-02 -0.30250224E-02 -0.26983363E-02 -0.23966304E-02 -0.21184290E-02
|
|
-0.18623447E-02 -0.16270734E-02 -0.14113885E-02 -0.12141363E-02 -0.10342305E-02
|
|
-0.87064756E-03 -0.72242246E-03 -0.58864403E-03 -0.46845100E-03 -0.36102822E-03
|
|
-0.26560299E-03 -0.18144173E-03 -0.10784686E-03 -0.44153931E-04 0.10271052E-04
|
|
0.56034014E-04 0.93715024E-04 0.12387027E-03 0.14703385E-03 0.16371932E-03
|
|
0.17442114E-03 0.17961585E-03 0.17976312E-03 0.17530665E-03 0.16667490E-03
|
|
0.15428171E-03 0.13852678E-03 0.11979605E-03 0.98461956E-04 0.74883635E-04
|
|
0.49406994E-04 0.22364762E-04 -0.59235453E-05 -0.35151697E-04 -0.65026858E-04
|
|
-0.95269730E-04 -0.12561472E-03 -0.15581010E-03 -0.18561821E-03 -0.21481563E-03
|
|
-0.24319334E-03 -0.27055686E-03 -0.29672642E-03 -0.32153701E-03 -0.34483852E-03
|
|
-0.36649572E-03 -0.38638832E-03 -0.40441090E-03 -0.42047283E-03 -0.43449818E-03
|
|
-0.44642551E-03 -0.45620768E-03 -0.46381158E-03 -0.46921781E-03 -0.47242037E-03
|
|
-0.47342620E-03 -0.47225478E-03 -0.46893762E-03 -0.46351774E-03 -0.45604909E-03
|
|
-0.44659601E-03 -0.43523252E-03 -0.42204173E-03 -0.40711510E-03 -0.39055178E-03
|
|
-0.37245785E-03 -0.35294560E-03 -0.33213278E-03 -0.31014181E-03 -0.28709908E-03
|
|
-0.26313412E-03 -0.23837886E-03 -0.21296690E-03 -0.18703273E-03 -0.16071104E-03
|
|
-0.13413595E-03 -0.10744038E-03 -0.80755337E-04 -0.54209277E-04 -0.27927500E-04
|
|
-0.20315573E-05 0.23361299E-04 0.48138629E-04 0.72193288E-04 0.95423861E-04
|
|
0.11773507E-03 0.13903812E-03 0.15925103E-03 0.17829892E-03 0.19611420E-03
|
|
0.21263679E-03 0.22781427E-03 0.24160196E-03 0.25396298E-03 0.26486829E-03
|
|
0.27429666E-03 0.28223461E-03 0.28867628E-03 0.29362332E-03 0.29708472E-03
|
|
0.29907659E-03 0.29962191E-03 0.29875028E-03 0.29649762E-03 0.29290583E-03
|
|
0.28802248E-03 0.28190039E-03 0.27459729E-03 0.26617540E-03 0.25670102E-03
|
|
0.24624409E-03 0.23487780E-03 0.22267807E-03 0.20972318E-03 0.19609328E-03
|
|
0.18186998E-03 0.16713587E-03 0.15197409E-03 0.13646792E-03 0.12070035E-03
|
|
0.10475367E-03 0.88709057E-04 0.72646222E-04 0.56643031E-04 0.40775162E-04
|
|
0.25115782E-04 0.97352345E-05 -0.52992379E-05 -0.19923759E-04 -0.34078052E-04
|
|
-0.47705657E-04 -0.60754113E-04 -0.73175128E-04 -0.84924712E-04 -0.95963296E-04
|
|
-0.10625582E-03 -0.11577179E-03 -0.12448532E-03 -0.13237514E-03 -0.13942461E-03
|
|
-0.14562165E-03 -0.15095871E-03 -0.15543268E-03 -0.15904481E-03 -0.16180058E-03
|
|
-0.16370954E-03 -0.16478520E-03 -0.16504483E-03 -0.16450929E-03 -0.16320282E-03
|
|
-0.16115283E-03 -0.15838967E-03 -0.15494645E-03 -0.15085873E-03 -0.14616430E-03
|
|
-0.14090296E-03 -0.13511623E-03 -0.12884710E-03 -0.12213979E-03 -0.11503948E-03
|
|
-0.10759205E-03 -0.99843857E-04 -0.91841435E-04 -0.83631306E-04 -0.75259718E-04
|
|
-0.66772424E-04 -0.58214461E-04 -0.49629942E-04 -0.41061855E-04 -0.32551877E-04
|
|
-0.24140196E-04 -0.15865353E-04 -0.77640876E-05 0.12879831E-06 0.77805634E-05
|
|
0.15160636E-04 0.22240711E-04 0.28994826E-04 0.35399431E-04 0.41433436E-04
|
|
0.47078256E-04 0.52317825E-04 0.57138614E-04 0.61529624E-04 0.65482370E-04
|
|
0.68990849E-04 0.72051500E-04 0.74663150E-04 0.76826950E-04 0.78546299E-04
|
|
0.79826762E-04 0.80675972E-04 0.81103534E-04 0.81120909E-04 0.80741303E-04
|
|
0.79979541E-04 0.78851946E-04 0.77376204E-04 0.75571231E-04 0.73457039E-04
|
|
0.71054592E-04 0.68385672E-04 0.65472733E-04 0.62338769E-04 0.59007172E-04
|
|
0.55501598E-04 0.51845831E-04 0.48063656E-04 0.44178729E-04 0.40214458E-04
|
|
0.36193884E-04 0.32139572E-04 0.28073505E-04 0.24016984E-04 0.19990537E-04
|
|
0.16013833E-04 0.12105604E-04 0.82835734E-05 0.45643978E-05 0.96360821E-06
|
|
-0.25044349E-05 -0.58265814E-05 -0.89909232E-05 -0.11986818E-04 -0.14804904E-04
|
|
-0.17437111E-04 -0.19876656E-04 -0.22118043E-04 -0.24157046E-04 -0.25990690E-04
|
|
-0.27617228E-04 -0.29036104E-04 -0.30247920E-04 -0.31254391E-04 -0.32058294E-04
|
|
-0.32663422E-04 -0.33074522E-04 -0.33297236E-04 -0.33338043E-04 -0.33204187E-04
|
|
-0.32903612E-04 -0.32444891E-04 -0.31837158E-04 -0.31090031E-04 -0.30213544E-04
|
|
-0.29218075E-04 -0.28114272E-04 -0.26912982E-04 -0.25625184E-04 -0.24261915E-04
|
|
-0.22834209E-04 -0.21353029E-04 -0.19829210E-04 -0.18273394E-04 -0.16695979E-04
|
|
-0.15107064E-04 -0.13516399E-04 -0.11933342E-04 -0.10366818E-04 -0.88252777E-05
|
|
-0.73166691E-05 -0.58484056E-05 -0.44273415E-05 -0.30597509E-05 -0.17513112E-05
|
|
-0.50709069E-06 0.66845944E-06 0.17715096E-05 0.27988524E-05 0.37478991E-05
|
|
0.46166733E-05 0.54038003E-05 0.61084931E-05 0.67305355E-05 0.72702615E-05
|
|
0.77285328E-05 0.81067133E-05 0.84066416E-05 0.86306012E-05 0.87812888E-05
|
|
0.88617807E-05 0.88754982E-05 0.88261716E-05 0.87178042E-05 0.85546350E-05
|
|
0.83411015E-05 0.80818030E-05 0.77814624E-05 0.74448903E-05 0.70769481E-05
|
|
0.66825131E-05 0.62664439E-05 0.58335484E-05 0.53885509E-05 0.49360629E-05
|
|
0.44805539E-05 0.40263246E-05 0.35774821E-05 0.31379169E-05 0.27112830E-05
|
|
0.23009787E-05 0.19101312E-05 0.15415818E-05 0.11978751E-05 0.88124901E-06
|
|
0.59362865E-06 0.33662156E-06 0.11151586E-06 -0.80719631E-07 -0.23943324E-06
|
|
-0.36428611E-06 -0.45524592E-06 -0.51257855E-06 -0.53683778E-06 -0.52885339E-06
|
|
-0.48971750E-06 -0.42076977E-06 -0.32358108E-06 -0.19993614E-06 -0.51814884E-07
|
|
0.11862716E-06 0.30907933E-06 0.51709689E-06 0.74012251E-06 0.97550804E-06
|
|
0.12205363E-05 0.14724431E-05 0.17284389E-05 0.19857308E-05 0.22415434E-05
|
|
0.24931396E-05 0.27378406E-05 0.29730445E-05 0.31962450E-05 0.34050484E-05
|
|
0.35971898E-05 0.37705484E-05 0.39231614E-05 0.40532365E-05 0.41591631E-05
|
|
0.42395220E-05 0.42930939E-05 0.43188662E-05 0.43160388E-05 0.42840279E-05
|
|
0.42224681E-05 0.41312140E-05 0.40103386E-05 0.38601318E-05 0.36810963E-05
|
|
0.34739432E-05 0.32395855E-05 0.29791307E-05 0.26938717E-05 0.23852774E-05
|
|
0.20549815E-05 0.17047705E-05 0.13365716E-05 0.95243893E-06 0.55453958E-06
|
|
0.14513916E-06 -0.27341357E-06 -0.69870220E-06 -0.11282585E-05 -0.15595785E-05
|
|
-0.19901382E-05 -0.24174103E-05 -0.28388794E-05 -0.32520584E-05 -0.36545039E-05
|
|
-0.40438311E-05 -0.44177287E-05 -0.47739729E-05 -0.51104404E-05 -0.54251212E-05
|
|
-0.57161303E-05 -0.59817190E-05 -0.62202842E-05 -0.64303782E-05 -0.66107162E-05
|
|
-0.67601834E-05 -0.68778407E-05 -0.69629297E-05 -0.70148763E-05 -0.70332932E-05
|
|
-0.70179817E-05 -0.69689318E-05 -0.68863212E-05 -0.67705140E-05 -0.66220569E-05
|
|
-0.64416761E-05 -0.62302714E-05 -0.59889109E-05 -0.57188237E-05 -0.54213923E-05
|
|
-0.50981433E-05 -0.47507388E-05 -0.43809655E-05 -0.39907245E-05 -0.35820196E-05
|
|
-0.31569462E-05 -0.27176783E-05 -0.22664565E-05 -0.18055749E-05 -0.13373686E-05
|
|
-0.86419985E-06 -0.38844573E-06 0.87515395E-07 0.56131673E-06 0.10306159E-05
|
|
0.14931078E-05 0.19465365E-05 0.23887075E-05 0.28174991E-05 0.32308731E-05
|
|
0.36268853E-05 0.40036954E-05 0.43595758E-05 0.46929200E-05 0.50022503E-05
|
|
0.52862242E-05 0.55436406E-05 0.57734443E-05 0.59747309E-05 0.61467497E-05
|
|
0.62889063E-05 0.64007640E-05 0.64820449E-05 0.65326294E-05 0.65525552E-05
|
|
0.65420159E-05 0.65013578E-05 0.64310769E-05 0.63318147E-05 0.62043528E-05
|
|
0.60496077E-05 0.58686243E-05 0.56625686E-05 0.54327205E-05 0.51804656E-05
|
|
0.49072864E-05 0.46147536E-05 0.43045163E-05 0.39782927E-05 0.36378600E-05
|
|
0.32850442E-05 0.29217101E-05 0.25497508E-05 0.21710776E-05 0.17876096E-05
|
|
0.14012638E-05 0.10139449E-05 0.62753542E-06 0.24388653E-06 -0.13519145E-06
|
|
-0.50793781E-06 -0.87264996E-06 -0.12276915E-05 -0.15714999E-05 -0.19025933E-05
|
|
-0.22195775E-05 -0.25211513E-05 -0.28061124E-05 -0.30733617E-05 -0.33219074E-05
|
|
-0.35508688E-05 -0.37594786E-05 -0.39470852E-05 -0.41131544E-05 -0.42572694E-05
|
|
-0.43791319E-05 -0.44785610E-05 -0.45554920E-05 -0.46099753E-05 -0.46421737E-05
|
|
-0.46523594E-05 -0.46409108E-05 -0.46083087E-05 -0.45551316E-05 -0.44820507E-05
|
|
-0.43898253E-05 -0.42792961E-05 -0.41513801E-05 -0.40070633E-05 -0.38473950E-05
|
|
-0.36734802E-05 -0.34864730E-05 -0.32875694E-05 -0.30779999E-05 -0.28590226E-05
|
|
-0.26319155E-05 -0.23979698E-05 -0.21584823E-05 -0.19147488E-05 -0.16680570E-05
|
|
-0.14196800E-05 -0.11708697E-05 -0.92285089E-06 -0.67681488E-06 -0.43391416E-06
|
|
-0.19525701E-06 0.38097469E-07 0.26514392E-06 0.48493489E-06 0.69658464E-06
|
|
0.89927242E-06 0.10922454E-05 0.12748210E-05 0.14463889E-05 0.16064127E-05
|
|
0.17544303E-05 0.18900555E-05 0.20129771E-05 0.21229591E-05 0.22198402E-05
|
|
0.23035321E-05 0.23740185E-05 0.24313530E-05 0.24756569E-05 0.25071166E-05
|
|
0.25259813E-05 0.25325590E-05 0.25272139E-05 0.25103625E-05 0.24824696E-05
|
|
0.24440445E-05 0.23956370E-05 0.23378325E-05 0.22712484E-05 0.21965288E-05
|
|
0.21143406E-05 0.20253688E-05 0.19303119E-05 0.18298774E-05 0.17247778E-05
|
|
0.16157259E-05 0.15034308E-05 0.13885940E-05 0.12719055E-05 0.11540402E-05
|
|
0.10356542E-05 0.91738200E-06 0.79983294E-06 0.68358881E-06 0.56920121E-06
|
|
0.45718919E-06 0.34803733E-06 0.24219398E-06 0.14006978E-06 0.42036544E-07
|
|
-0.51573645E-07 -0.14046899E-06 -0.22439830E-06 -0.30315103E-06 -0.37655701E-06
|
|
-0.44448599E-06 -0.50684689E-06 -0.56358683E-06 -0.61468996E-06 -0.66017612E-06
|
|
-0.70009925E-06 -0.73454573E-06 -0.76363251E-06 -0.78750508E-06 -0.80633544E-06
|
|
-0.82031978E-06 -0.82967625E-06 -0.83464251E-06 -0.83547334E-06 -0.83243810E-06
|
|
-0.82581824E-06 -0.81590474E-06 -0.80299563E-06 -0.78739346E-06 -0.76940290E-06
|
|
-0.74932833E-06 -0.72747162E-06 -0.70412991E-06 -0.67959357E-06 -0.65414425E-06
|
|
-0.62805311E-06 -0.60157915E-06 -0.57496774E-06 -0.54844928E-06 -0.52223799E-06
|
|
-0.49653092E-06 -0.47150707E-06 -0.44732666E-06 -0.42413063E-06 -0.40204021E-06
|
|
-0.38115671E-06 -0.36156145E-06 -0.34331585E-06 -0.32646165E-06 -0.31102134E-06
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|
|
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|
|
0.84828919E-08 0.32393398E-07 0.57356627E-07 0.83275773E-07 0.11004305E-06
|
|
0.13754046E-06 0.16564058E-06 0.19420753E-06 0.22309784E-06 0.25216156E-06
|
|
0.28124329E-06 0.31018332E-06 0.33881874E-06 0.36698468E-06 0.39451544E-06
|
|
0.42124574E-06 0.44701185E-06 0.47165281E-06 0.49501149E-06 0.51693578E-06
|
|
0.53727954E-06 0.55590369E-06 0.57267708E-06 0.58747742E-06 0.60019208E-06
|
|
0.61071883E-06 0.61896654E-06 0.62485582E-06 0.62831952E-06 0.62930323E-06
|
|
0.62776566E-06 0.62367899E-06 0.61702904E-06 0.60781549E-06 0.59605189E-06
|
|
0.58176563E-06 0.56499785E-06 0.54580320E-06 0.52424955E-06 0.50041759E-06
|
|
0.47440040E-06 0.44630285E-06 0.41624105E-06 0.38434162E-06 0.35074098E-06
|
|
0.31558455E-06 0.27902595E-06 0.24122610E-06 0.20235235E-06 0.16257750E-06
|
|
0.12207893E-06 0.81037534E-07 0.39636817E-07 -0.19381504E-08 -0.43501708E-07
|
|
-0.84868610E-07 -0.12585501E-06 -0.16627945E-06 -0.20596378E-06 -0.24473414E-06
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|
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-0.62358409E-06 -0.61541897E-06 -0.60489667E-06 -0.59208721E-06 -0.57707012E-06
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|
|
-0.12887260E-06 -0.94693260E-07 -0.60637124E-07 -0.26840238E-07 0.65650520E-08
|
|
0.39450658E-07 0.71693268E-07 0.10317483E-06 0.13378298E-06 0.16341144E-06
|
|
0.19196036E-06 0.21933665E-06 0.24545418E-06 0.27023403E-06 0.29360466E-06
|
|
0.31550205E-06 0.33586978E-06 0.35465907E-06 0.37182884E-06 0.38734569E-06
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|
0.40118383E-06 0.41332502E-06 0.42375844E-06 0.43248055E-06 0.43949490E-06
|
|
0.44481194E-06 0.44844875E-06 0.45042874E-06 0.45078143E-06 0.44954207E-06
|
|
0.44675128E-06 0.44245477E-06 0.43670290E-06 0.42955036E-06 0.42105575E-06
|
|
0.41128120E-06 0.40029201E-06 0.38815627E-06 0.37494442E-06 0.36072897E-06
|
|
0.34558403E-06 0.32958501E-06 0.31280821E-06 0.29533049E-06 0.27722892E-06
|
|
0.25858043E-06 0.23946151E-06 0.21994785E-06 0.20011413E-06 0.18003367E-06
|
|
0.15977824E-06 0.13941777E-06 0.11902025E-06 0.98651457E-07 0.78374845E-07
|
|
0.58251417E-07 0.38339606E-07 0.18695188E-07 -0.62879980E-09 -0.19582112E-07
|
|
-0.38117351E-07 -0.56189996E-07 -0.73758438E-07 -0.90783988E-07 -0.10723089E-06
|
|
-0.12306629E-06 -0.13826027E-06 -0.15278575E-06 -0.16661847E-06 -0.17973694E-06
|
|
-0.19212236E-06 -0.20375852E-06 -0.21463169E-06 -0.22473055E-06 -0.23404605E-06
|
|
-0.24257128E-06 -0.25030139E-06 -0.25723341E-06 -0.26336620E-06 -0.26870032E-06
|
|
-0.27323790E-06 -0.27698258E-06 -0.27993942E-06 -0.28211481E-06 -0.28351640E-06
|
|
-0.28415304E-06 -0.28403473E-06 -0.28317254E-06 -0.28157856E-06 -0.27926585E-06
|
|
-0.27624843E-06 -0.27254117E-06 -0.26815980E-06 -0.26312087E-06 -0.25744170E-06
|
|
13.9839723154840 T
|
|
Non local Part
|
|
0 2 1.45491423725239
|
|
7.22135885382218 -1.57190966689618 -1.57190966689618
|
|
-3.03717627641719
|
|
Reciprocal Space Part
|
|
0.86013812E+01 0.85803302E+01 0.85173397E+01 0.84128951E+01 0.82678009E+01
|
|
0.80831728E+01 0.78604279E+01 0.76012719E+01 0.73076833E+01 0.69818957E+01
|
|
0.66263775E+01 0.62438095E+01 0.58370611E+01 0.54091638E+01 0.49632848E+01
|
|
0.45026980E+01 0.40307552E+01 0.35508563E+01 0.30664195E+01 0.25808507E+01
|
|
0.20975148E+01 0.16197057E+01 0.11506189E+01 0.69332430E+00 0.25074038E+00
|
|
-0.17438929E+00 -0.57951811E+00 -0.96231633E+00 -0.13206885E+01 -0.16527885E+01
|
|
-0.19570320E+01 -0.22321061E+01 -0.24769764E+01 -0.26908908E+01 -0.28733811E+01
|
|
-0.30242607E+01 -0.31436209E+01 -0.32318235E+01 -0.32894905E+01 -0.33174927E+01
|
|
-0.33169346E+01 -0.32891378E+01 -0.32356224E+01 -0.31580868E+01 -0.30583861E+01
|
|
-0.29385089E+01 -0.28005539E+01 -0.26467053E+01 -0.24792082E+01 -0.23003441E+01
|
|
-0.21124060E+01 -0.19176748E+01 -0.17183961E+01 -0.15167582E+01 -0.13148711E+01
|
|
-0.11147471E+01 -0.91828381E+00 -0.72724756E+00 -0.54326021E+00 -0.36778727E+00
|
|
-0.20212850E+00 -0.47410695E-01 0.95417266E-01 0.22558707E+00 0.34251143E+00
|
|
0.44578237E+00 0.53516739E+00 0.61060380E+00 0.67219107E+00 0.72018168E+00
|
|
0.75497040E+00 0.77708229E+00 0.78715966E+00 0.78594812E+00 0.77428201E+00
|
|
0.75306936E+00 0.72327667E+00 0.68591365E+00 0.64201816E+00 0.59264162E+00
|
|
0.53883486E+00 0.48163486E+00 0.42205224E+00 0.36105988E+00 0.29958261E+00
|
|
0.23848814E+00 0.17857923E+00 0.12058726E+00 0.65167069E-01 0.12893213E-01
|
|
-0.35742502E-01 -0.80332158E-01 -0.12055164E+00 -0.15615941E+00 -0.18699412E+00
|
|
-0.21297137E+00 -0.23407949E+00 -0.25037462E+00 -0.26197513E+00 -0.26905554E+00
|
|
Real Space Part
|
|
-0.96783368E+01 -0.96725165E+01 -0.96550165E+01 -0.96257221E+01 -0.95844442E+01
|
|
-0.95309239E+01 -0.94648373E+01 -0.93858026E+01 -0.92933886E+01 -0.91871232E+01
|
|
-0.90665046E+01 -0.89310124E+01 -0.87801197E+01 -0.86133060E+01 -0.84300704E+01
|
|
-0.82299453E+01 -0.80125098E+01 -0.77774034E+01 -0.75243387E+01 -0.72531150E+01
|
|
-0.69636294E+01 -0.66558885E+01 -0.63300185E+01 -0.59862742E+01 -0.56250463E+01
|
|
-0.52468683E+01 -0.48524203E+01 -0.44425327E+01 -0.40181872E+01 -0.35805160E+01
|
|
-0.31307998E+01 -0.26704636E+01 -0.22010703E+01 -0.17243132E+01 -0.12420064E+01
|
|
-0.75607368E+00 -0.26853541E+00 0.21850534E+00 0.70287853E+00 0.11823637E+01
|
|
0.16547079E+01 0.21176438E+01 0.25689093E+01 0.30062666E+01 0.34275221E+01
|
|
0.38305464E+01 0.42132935E+01 0.45738198E+01 0.49103028E+01 0.52210586E+01
|
|
0.55045581E+01 0.57594429E+01 0.59845511E+01 0.61789650E+01 0.63368459E+01
|
|
0.62656303E+01 0.53617427E+01 0.45914155E+01 0.39135587E+01 0.33187644E+01
|
|
0.27993212E+01 0.23482437E+01 0.19590980E+01 0.16259981E+01 0.13435908E+01
|
|
0.11070164E+01 0.91160454E+00 0.74196427E+00 0.58955348E+00 0.45341165E+00
|
|
0.33267046E+00 0.22661800E+00 0.13467880E+00 0.56389850E-01 -0.86216565E-02
|
|
-0.60658823E-01 -0.99973850E-01 -0.12678497E+00 -0.14129182E+00 -0.14368954E+00
|
|
-0.13418272E+00 -0.11297549E+00 -0.80139387E-01 -0.36727759E-01 0.30324162E-02
|
|
-0.85040830E-04 -0.60766903E-04 0.47015405E-05 0.11134130E-05 -0.19916855E-06
|
|
-0.10013444E-07 0.59848296E-08 -0.53237798E-09 -0.92642330E-10 0.29527620E-10
|
|
-0.25908865E-11 -0.42768872E-12 0.17344342E-12 -0.24090194E-13 0.00000000E+00
|
|
Reciprocal Space Part
|
|
0.48257483E+01 0.47989628E+01 0.47188392E+01 0.45860730E+01 0.44018162E+01
|
|
0.41676664E+01 0.38856513E+01 0.35582099E+01 0.31881691E+01 0.27787170E+01
|
|
0.23333727E+01 0.18559533E+01 0.13505376E+01 0.82142774E+00 0.27310882E+00
|
|
-0.28979320E+00 -0.86255474E+00 -0.14403987E+01 -0.20185387E+01 -0.25922236E+01
|
|
-0.31567809E+01 -0.37076596E+01 -0.42404713E+01 -0.47510300E+01 -0.52353888E+01
|
|
-0.56898748E+01 -0.61111208E+01 -0.64960932E+01 -0.68421173E+01 -0.71468980E+01
|
|
-0.74085370E+01 -0.76255455E+01 -0.77968531E+01 -0.79218118E+01 -0.80001963E+01
|
|
-0.80321993E+01 -0.80184234E+01 -0.79598681E+01 -0.78579134E+01 -0.77142995E+01
|
|
-0.75311033E+01 -0.73107112E+01 -0.70557900E+01 -0.67692543E+01 -0.64542324E+01
|
|
-0.61140309E+01 -0.57520972E+01 -0.53719820E+01 -0.49773009E+01 -0.45716965E+01
|
|
-0.41588008E+01 -0.37421983E+01 -0.33253912E+01 -0.29117658E+01 -0.25045606E+01
|
|
-0.21068380E+01 -0.17214574E+01 -0.13510523E+01 -0.99801004E+00 -0.66445480E+00
|
|
-0.35223455E+00 -0.62911059E-01 0.20224627E+00 0.44226312E+00 0.65645943E+00
|
|
0.84444525E+00 0.10061133E+01 0.11416287E+01 0.12514155E+01 0.13361407E+01
|
|
0.13966969E+01 0.14341814E+01 0.14498747E+01 0.14452179E+01 0.14217880E+01
|
|
0.13812736E+01 0.13254501E+01 0.12561544E+01 0.11752604E+01 0.10846556E+01
|
|
0.98621757E+00 0.88179250E+00 0.77317503E+00 0.66208952E+00 0.55017332E+00
|
|
0.43896198E+00 0.32987654E+00 0.22421294E+00 0.12313363E+00 0.27661421E-01
|
|
-0.61324604E-01 -0.14309096E+00 -0.21704970E+00 -0.28275638E+00 -0.33990628E+00
|
|
-0.38832902E+00 -0.42798170E+00 -0.45894073E+00 -0.48139269E+00 -0.49562419E+00
|
|
Real Space Part
|
|
-0.31846770E+02 -0.31826844E+02 -0.31767027E+02 -0.31667210E+02 -0.31527213E+02
|
|
-0.31346795E+02 -0.31125658E+02 -0.30863462E+02 -0.30559833E+02 -0.30214383E+02
|
|
-0.29826724E+02 -0.29396482E+02 -0.28923322E+02 -0.28406963E+02 -0.27847202E+02
|
|
-0.27243932E+02 -0.26597164E+02 -0.25907046E+02 -0.25173884E+02 -0.24398162E+02
|
|
-0.23580556E+02 -0.22721952E+02 -0.21823463E+02 -0.20886435E+02 -0.19912462E+02
|
|
-0.18903391E+02 -0.17861328E+02 -0.16788639E+02 -0.15687947E+02 -0.14562133E+02
|
|
-0.13414323E+02 -0.12247882E+02 -0.11066399E+02 -0.98736691E+01 -0.86736781E+01
|
|
-0.74705773E+01 -0.62686605E+01 -0.50723372E+01 -0.38861030E+01 -0.27145096E+01
|
|
-0.15621321E+01 -0.43353563E+00 0.66675934E+00 0.17343116E+01 0.27647947E+01
|
|
0.37540316E+01 0.46980292E+01 0.55930121E+01 0.64354543E+01 0.72221101E+01
|
|
0.79500426E+01 0.86166503E+01 0.92197140E+01 0.97574841E+01 0.10218925E+02
|
|
0.10240385E+02 0.86820444E+01 0.73685766E+01 0.62223837E+01 0.52256968E+01
|
|
0.43639485E+01 0.36239397E+01 0.29935105E+01 0.24615329E+01 0.20178825E+01
|
|
0.16533655E+01 0.13591443E+01 0.11062601E+01 0.87901973E+00 0.67603338E+00
|
|
0.49600915E+00 0.33788574E+00 0.20080508E+00 0.84076842E-01 -0.12854825E-01
|
|
-0.90441849E-01 -0.14906026E+00 -0.18903544E+00 -0.21066504E+00 -0.21424002E+00
|
|
-0.20006543E+00 -0.16844561E+00 -0.11948722E+00 -0.54760813E-01 0.45213097E-02
|
|
-0.12679524E-03 -0.90602996E-04 0.70099615E-05 0.16600904E-05 -0.29695881E-06
|
|
-0.14929971E-07 0.89233365E-08 -0.79377136E-09 -0.13812953E-09 0.44026069E-10
|
|
-0.38641725E-11 -0.63742020E-12 0.25961553E-12 -0.35834494E-13 0.00000000E+00
|
|
Non local Part
|
|
1 2 1.45491423725239
|
|
-6.71259936882106 -0.242725393311529 -0.242725393311529
|
|
14.5759891422067
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.40827580E+00 0.81248654E+00 0.12086177E+01 0.15927552E+01
|
|
0.19611334E+01 0.23101820E+01 0.26365688E+01 0.29372402E+01 0.32094573E+01
|
|
0.34508273E+01 0.36593307E+01 0.38333424E+01 0.39716480E+01 0.40734544E+01
|
|
0.41383940E+01 0.41665239E+01 0.41583187E+01 0.41146584E+01 0.40368106E+01
|
|
0.39264078E+01 0.37854202E+01 0.36161243E+01 0.34210683E+01 0.32030336E+01
|
|
0.29649949E+01 0.27100778E+01 0.24415157E+01 0.21626055E+01 0.18766643E+01
|
|
0.15869864E+01 0.12968017E+01 0.10092362E+01 0.72727485E+00 0.45372731E+00
|
|
0.19119748E+00 -0.57943646E-01 -0.29158086E+00 -0.50787339E+00 -0.70526906E+00
|
|
-0.88251405E+00 -0.10386580E+01 -0.11730549E+01 -0.12853591E+01 -0.13755180E+01
|
|
-0.14437602E+01 -0.14905803E+01 -0.15167206E+01 -0.15231497E+01 -0.15110389E+01
|
|
-0.14817367E+01 -0.14367416E+01 -0.13776740E+01 -0.13062477E+01 -0.12242408E+01
|
|
-0.11334678E+01 -0.10357515E+01 -0.93289694E+00 -0.82666650E+00 -0.71875669E+00
|
|
-0.61077746E+00 -0.50423362E+00 -0.40050890E+00 -0.30085271E+00 -0.20636964E+00
|
|
-0.11801174E+00 -0.36573643E-01 0.37309611E-01 0.10316216E+00 0.16066439E+00
|
|
0.20964769E+00 0.25008714E+00 0.28209236E+00 0.30589666E+00 0.32184497E+00
|
|
0.33038060E+00 0.33203127E+00 0.32739462E+00 0.31712353E+00 0.30191140E+00
|
|
0.28247774E+00 0.25955435E+00 0.23387206E+00 0.20614852E+00 0.17707697E+00
|
|
0.14731620E+00 0.11748183E+00 0.88138930E-01 0.59796028E-01 0.32900555E-01
|
|
0.78356852E-02 -0.15081461E-01 -0.35600296E-01 -0.53536031E-01 -0.68767797E-01
|
|
-0.81235757E-01 -0.90937322E-01 -0.97922603E-01 -0.10228924E+00 -0.10417674E+00
|
|
Real Space Part
|
|
0.00000000E+00 -0.13786543E+00 -0.27510747E+00 -0.41110160E+00 -0.54522114E+00
|
|
-0.67683632E+00 -0.80531365E+00 -0.93001553E+00 -0.10503002E+01 -0.11655222E+01
|
|
-0.12750332E+01 -0.13781832E+01 -0.14743229E+01 -0.15628055E+01 -0.16429904E+01
|
|
-0.17142463E+01 -0.17759556E+01 -0.18275192E+01 -0.18683616E+01 -0.18979365E+01
|
|
-0.19157332E+01 -0.19212827E+01 -0.19141648E+01 -0.18940146E+01 -0.18605299E+01
|
|
-0.18134779E+01 -0.17527023E+01 -0.16781302E+01 -0.15897780E+01 -0.14877578E+01
|
|
-0.13722826E+01 -0.12436714E+01 -0.11023528E+01 -0.94886873E+00 -0.78387635E+00
|
|
-0.60814946E+00 -0.42257862E+00 -0.22817015E+00 -0.26043874E-01 0.18257032E+00
|
|
0.39633730E+00 0.61382277E+00 0.83350061E+00 0.10537616E+01 0.12729232E+01
|
|
0.14892409E+01 0.17009202E+01 0.19061300E+01 0.21030171E+01 0.22897210E+01
|
|
0.24643899E+01 0.26251973E+01 0.27703585E+01 0.28981484E+01 0.30069185E+01
|
|
0.30951140E+01 0.31612918E+01 0.32041360E+01 0.32224754E+01 0.32152977E+01
|
|
0.31817653E+01 0.31212276E+01 0.30332341E+01 0.29175448E+01 0.27741412E+01
|
|
0.26032519E+01 0.24056254E+01 0.21930518E+01 0.19715936E+01 0.17406274E+01
|
|
0.14999546E+01 0.12498003E+01 0.99109999E+00 0.71776913E+00 0.64197092E+00
|
|
0.56629784E+00 0.49188028E+00 0.41822822E+00 0.34605796E+00 0.27619760E+00
|
|
0.20940993E+00 0.14636860E+00 0.87550394E-01 0.34103143E-01 -0.26696258E-02
|
|
0.74985202E-04 0.53581538E-04 -0.41456082E-05 -0.98175780E-06 0.17561792E-06
|
|
0.88294076E-08 -0.52771552E-08 0.46942709E-09 0.81687838E-10 -0.26036033E-10
|
|
0.22841701E-11 0.37722925E-12 -0.15235502E-12 0.21304626E-13 0.00000000E+00
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.30825195E+00 0.61208527E+00 0.90714467E+00 0.11892006E+01
|
|
0.14542095E+01 0.16983716E+01 0.19181842E+01 0.21104912E+01 0.22725263E+01
|
|
0.24019513E+01 0.24968867E+01 0.25559360E+01 0.25782022E+01 0.25632973E+01
|
|
0.25113434E+01 0.24229668E+01 0.22992843E+01 0.21418823E+01 0.19527895E+01
|
|
0.17344431E+01 0.14896489E+01 0.12215373E+01 0.93351441E+00 0.62921005E+00
|
|
0.31242296E+00 -0.12935391E-01 -0.34289783E+00 -0.67349837E+00 -0.10008281E+01
|
|
-0.13210888E+01 -0.16306449E+01 -0.19260701E+01 -0.22041921E+01 -0.24621307E+01
|
|
-0.26973317E+01 -0.29075948E+01 -0.30910957E+01 -0.32464015E+01 -0.33724807E+01
|
|
-0.34687061E+01 -0.35348519E+01 -0.35710850E+01 -0.35779501E+01 -0.35563504E+01
|
|
-0.35075227E+01 -0.34330086E+01 -0.33346219E+01 -0.32144132E+01 -0.30746320E+01
|
|
-0.29176870E+01 -0.27461055E+01 -0.25624924E+01 -0.23694902E+01 -0.21697386E+01
|
|
-0.19658374E+01 -0.17603104E+01 -0.15555726E+01 -0.13539000E+01 -0.11574030E+01
|
|
-0.96800438E+00 -0.78741997E+00 -0.61714435E+00 -0.45844045E+00 -0.31233335E+00
|
|
-0.17960819E+00 -0.60812082E-01 0.43740363E-01 0.13395793E+00 0.20996061E+00
|
|
0.27206465E+00 0.32076511E+00 0.35671664E+00 0.38071253E+00 0.39366280E+00
|
|
0.39657161E+00 0.39051440E+00 0.37661534E+00 0.35602526E+00 0.32990054E+00
|
|
0.29938336E+00 0.26558337E+00 0.22956127E+00 0.19231426E+00 0.15476373E+00
|
|
0.11774507E+00 0.81999846E-01 0.48170196E-01 0.16795473E-01 -0.11688942E-01
|
|
-0.36950800E-01 -0.58758258E-01 -0.76975441E-01 -0.91556502E-01 -0.10253840E+00
|
|
-0.11003260E+00 -0.11421600E+00 -0.11532125E+00 -0.11362671E+00 -0.10944634E+00
|
|
Real Space Part
|
|
0.00000000E+00 -0.61206659E+00 -0.12211548E+01 -0.18243013E+01 -0.24185734E+01
|
|
-0.30010834E+01 -0.35690040E+01 -0.41195827E+01 -0.46501560E+01 -0.51581637E+01
|
|
-0.56411619E+01 -0.60968368E+01 -0.65230163E+01 -0.69176830E+01 -0.72789845E+01
|
|
-0.76052448E+01 -0.78949732E+01 -0.81468742E+01 -0.83598548E+01 -0.85330321E+01
|
|
-0.86657389E+01 -0.87575292E+01 -0.88081820E+01 -0.88177038E+01 -0.87863306E+01
|
|
-0.87145279E+01 -0.86029900E+01 -0.84526375E+01 -0.82646141E+01 -0.80402818E+01
|
|
-0.77812143E+01 -0.74891896E+01 -0.71661817E+01 -0.68143498E+01 -0.64360271E+01
|
|
-0.60337085E+01 -0.56100362E+01 -0.51677854E+01 -0.47098478E+01 -0.42392146E+01
|
|
-0.37589591E+01 -0.32722174E+01 -0.27821694E+01 -0.22920187E+01 -0.18049721E+01
|
|
-0.13242187E+01 -0.85290917E+00 -0.39413438E+00 0.49095405E-01 0.47387136E+00
|
|
0.87740654E+00 0.12570557E+01 0.16103346E+01 0.19349383E+01 0.22287584E+01
|
|
0.24898998E+01 0.27166952E+01 0.29077191E+01 0.30617998E+01 0.31780296E+01
|
|
0.32557743E+01 0.32946793E+01 0.32946751E+01 0.32559803E+01 0.31791036E+01
|
|
0.30648569E+01 0.29145599E+01 0.27385027E+01 0.25433199E+01 0.23304709E+01
|
|
0.21016216E+01 0.18586361E+01 0.16037712E+01 0.13343971E+01 0.11968771E+01
|
|
0.10577059E+01 0.91890896E+00 0.78131477E+00 0.64648684E+00 0.51597723E+00
|
|
0.39120819E+00 0.27343783E+00 0.16355687E+00 0.63709629E-01 -0.49872491E-02
|
|
0.14008326E-03 0.10009810E-03 -0.77445988E-05 -0.18340663E-05 0.32807981E-06
|
|
0.16494614E-07 -0.98584915E-08 0.87695875E-09 0.15260293E-09 -0.48636889E-10
|
|
0.42628343E-11 0.70568447E-12 -0.28082690E-12 0.40118130E-13 0.00000000E+00
|
|
Non local Part
|
|
2 2 1.45491423725239
|
|
-0.161568759022929 -0.196008702347205 -0.196008702347205
|
|
1.67749941628240
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.54201694E-01 0.21536100E+00 0.47917603E+00 0.83859421E+00
|
|
0.12839851E+01 0.18033765E+01 0.23827474E+01 0.30063715E+01 0.36572017E+01
|
|
0.43172875E+01 0.49682132E+01 0.55915478E+01 0.61692950E+01 0.66843314E+01
|
|
0.71208245E+01 0.74646172E+01 0.77035727E+01 0.78278693E+01 0.78302395E+01
|
|
0.77061466E+01 0.74538964E+01 0.70746798E+01 0.65725472E+01 0.59543149E+01
|
|
0.52294061E+01 0.44096314E+01 0.35089141E+01 0.25429671E+01 0.15289304E+01
|
|
0.48497716E+00 -0.57010084E+00 -0.16173189E+01 -0.26379259E+01 -0.36138204E+01
|
|
-0.45279485E+01 -0.53646716E+01 -0.61100972E+01 -0.67523654E+01 -0.72818840E+01
|
|
-0.76915073E+01 -0.79766559E+01 -0.81353748E+01 -0.81683298E+01 -0.80787430E+01
|
|
-0.78722698E+01 -0.75568223E+01 -0.71423430E+01 -0.66405361E+01 -0.60645635E+01
|
|
-0.54287137E+01 -0.47480509E+01 -0.40380559E+01 -0.33142641E+01 -0.25919132E+01
|
|
-0.18856054E+01 -0.12089952E+01 -0.57450727E+00 0.69080393E-02 0.52597688E+00
|
|
0.97525790E+00 0.13492495E+01 0.16444467E+01 0.18593483E+01 0.19944142E+01
|
|
0.20519773E+01 0.20361113E+01 0.19524607E+01 0.18080378E+01 0.16109924E+01
|
|
0.13703616E+01 0.10958061E+01 0.79734049E+00 0.48506421E+00 0.16890062E+00
|
|
-0.14164999E+00 -0.43773708E+00 -0.71136125E+00 -0.95554591E+00 -0.11644758E+01
|
|
-0.13335995E+01 -0.14596953E+01 -0.15408992E+01 -0.15766951E+01 -0.15678712E+01
|
|
-0.15164409E+01 -0.14255364E+01 -0.12992739E+01 -0.11425992E+01 -0.96111582E+00
|
|
-0.76090204E+00 -0.54832214E+00 -0.32983692E+00 -0.11181893E+00 0.99622837E-01
|
|
0.29880428E+00 0.48060953E+00 0.64061312E+00 0.77517821E+00 0.88152906E+00
|
|
Real Space Part
|
|
0.00000000E+00 -0.19887315E-01 -0.79328162E-01 -0.17766246E+00 -0.31380069E+00
|
|
-0.48623963E+00 -0.69308403E+00 -0.93207379E+00 -0.12006162E+01 -0.14958228E+01
|
|
-0.18145501E+01 -0.21534430E+01 -0.25089819E+01 -0.28775297E+01 -0.32553815E+01
|
|
-0.36388124E+01 -0.40241262E+01 -0.44077013E+01 -0.47860348E+01 -0.51557829E+01
|
|
-0.55137984E+01 -0.58571625E+01 -0.61832133E+01 -0.64895677E+01 -0.67741382E+01
|
|
-0.70351441E+01 -0.72711164E+01 -0.74808972E+01 -0.76636332E+01 -0.78187641E+01
|
|
-0.79460057E+01 -0.80453286E+01 -0.81169330E+01 -0.81612203E+01 -0.81787624E+01
|
|
-0.81702689E+01 -0.81365545E+01 -0.80785056E+01 -0.79970488E+01 -0.78931212E+01
|
|
-0.77676439E+01 -0.76214993E+01 -0.74555136E+01 -0.72704441E+01 -0.70669742E+01
|
|
-0.68457137E+01 -0.66072074E+01 -0.63519516E+01 -0.60804180E+01 -0.57930857E+01
|
|
-0.54904813E+01 -0.51732266E+01 -0.48420934E+01 -0.44980652E+01 -0.41424040E+01
|
|
-0.37767231E+01 -0.34030633E+01 -0.30239711E+01 -0.26425795E+01 -0.22626879E+01
|
|
-0.18888409E+01 -0.15264031E+01 -0.11816298E+01 -0.86172983E+00 -0.57490677E+00
|
|
-0.33022664E+00 -0.13498162E+00 0.11588459E+00 0.48153836E+00 0.95179924E+00
|
|
0.15154091E+01 0.21592297E+01 0.28682853E+01 0.36258780E+01 0.44137255E+01
|
|
0.52121141E+01 0.60000745E+01 0.67555669E+01 0.74556752E+01 0.80768251E+01
|
|
0.85950023E+01 0.89859843E+01 0.92255777E+01 0.92898525E+01 0.91553925E+01
|
|
0.87995422E+01 0.82006551E+01 0.73382391E+01 0.61930640E+01 0.47518812E+01
|
|
0.29958756E+01 0.76552199E+00 -0.45971959E-01 -0.79993397E-02 0.25493676E-02
|
|
-0.22307213E-03 -0.37078992E-04 0.14378944E-04 -0.21317205E-05 0.00000000E+00
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.22488378E-01 0.89266413E-01 0.19829034E+00 0.34621183E+00
|
|
0.52846344E+00 0.73937514E+00 0.97231912E+00 0.12198791E+01 0.14740401E+01
|
|
0.17263936E+01 0.19683532E+01 0.21913753E+01 0.23871797E+01 0.25479633E+01
|
|
0.26666033E+01 0.27368438E+01 0.27534615E+01 0.27124062E+01 0.26109130E+01
|
|
0.24475829E+01 0.22224309E+01 0.19368997E+01 0.15938379E+01 0.11974460E+01
|
|
0.75318841E+00 0.26767641E+00 -0.25147702E+00 -0.79582538E+00 -0.13562765E+01
|
|
-0.19232952E+01 -0.24871155E+01 -0.30379575E+01 -0.35662442E+01 -0.40628116E+01
|
|
-0.45191084E+01 -0.49273807E+01 -0.52808357E+01 -0.55737834E+01 -0.58017501E+01
|
|
-0.59615643E+01 -0.60514108E+01 -0.60708536E+01 -0.60208271E+01 -0.59035956E+01
|
|
-0.57226837E+01 -0.54827789E+01 -0.51896089E+01 -0.48497979E+01 -0.44707048E+01
|
|
-0.40602480E+01 -0.36267212E+01 -0.31786038E+01 -0.27243728E+01 -0.22723176E+01
|
|
-0.18303650E+01 -0.14059165E+01 -0.10057017E+01 -0.63565264E+00 -0.30079855E+00
|
|
-0.51863363E-02 0.24817435E+00 0.45733958E+00 0.62143355E+00 0.74062553E+00
|
|
0.81608263E+00 0.84990020E+00 0.84501240E+00 0.80508553E+00 0.73439747E+00
|
|
0.63770659E+00 0.52011379E+00 0.38692126E+00 0.24349176E+00 0.95111827E-01
|
|
-0.53137600E-01 -0.19650025E+00 -0.33065049E+00 -0.45178390E+00 -0.55669077E+00
|
|
-0.64281117E+00 -0.70827066E+00 -0.75189676E+00 -0.77321602E+00 -0.77243283E+00
|
|
-0.75039100E+00 -0.70851979E+00 -0.64876650E+00 -0.57351778E+00 -0.48551237E+00
|
|
-0.38774776E+00 -0.28338364E+00 -0.17564491E+00 -0.67726840E-01 0.37295135E-01
|
|
0.13654851E+00 0.22743782E+00 0.30770804E+00 0.37549580E+00 0.42936755E+00
|
|
Real Space Part
|
|
0.00000000E+00 -0.18833216E-01 -0.75140578E-01 -0.16834769E+00 -0.29750539E+00
|
|
-0.46130185E+00 -0.65807923E+00 -0.88585476E+00 -0.11423457E+01 -0.14249979E+01
|
|
-0.17310178E+01 -0.20574068E+01 -0.24009980E+01 -0.27584943E+01 -0.31265083E+01
|
|
-0.35016013E+01 -0.38803237E+01 -0.42592536E+01 -0.46350344E+01 -0.50044109E+01
|
|
-0.53642624E+01 -0.57116340E+01 -0.60437636E+01 -0.63581060E+01 -0.66523530E+01
|
|
-0.69244499E+01 -0.71726066E+01 -0.73953058E+01 -0.75913064E+01 -0.77596421E+01
|
|
-0.78996173E+01 -0.80107982E+01 -0.80930005E+01 -0.81462750E+01 -0.81708891E+01
|
|
-0.81673075E+01 -0.81361701E+01 -0.80782696E+01 -0.79945282E+01 -0.78859748E+01
|
|
-0.77537222E+01 -0.75989463E+01 -0.74228668E+01 -0.72267302E+01 -0.70117960E+01
|
|
-0.67793261E+01 -0.65305781E+01 -0.62668022E+01 -0.59892433E+01 -0.56991467E+01
|
|
-0.53977686E+01 -0.50863920E+01 -0.47663454E+01 -0.44390276E+01 -0.41059346E+01
|
|
-0.37686917E+01 -0.34290874E+01 -0.30891101E+01 -0.27509870E+01 -0.24172236E+01
|
|
-0.20906439E+01 -0.17744292E+01 -0.14721563E+01 -0.11878326E+01 -0.92592162E+00
|
|
-0.69129287E+00 -0.48806852E+00 -0.27029812E+00 -0.10527932E-01 0.28824771E+00
|
|
0.62230312E+00 0.98682319E+00 0.13759193E+01 0.17826810E+01 0.21992393E+01
|
|
0.26168401E+01 0.30259304E+01 0.34162517E+01 0.37769377E+01 0.40966286E+01
|
|
0.43635835E+01 0.45658039E+01 0.46911601E+01 0.47275167E+01 0.46628696E+01
|
|
0.44854793E+01 0.41840087E+01 0.37476068E+01 0.31659754E+01 0.24318029E+01
|
|
0.15348478E+01 0.39257003E+00 -0.23578189E-01 -0.41027148E-02 0.13075239E-02
|
|
-0.11440961E-03 -0.19017136E-04 0.73746970E-05 -0.10933204E-05 0.00000000E+00
|
|
Non local Part
|
|
3 2 1.45491423725239
|
|
66.4935237788674 66.6813688421847 66.6813688421847
|
|
66.8698858630859
|
|
Reciprocal Space Part
|
|
0.00000000E+00 -0.56207989E-01 -0.44744577E+00 -0.14977135E+01 -0.35092355E+01
|
|
-0.67522746E+01 -0.11455769E+02 -0.17799039E+02 -0.25904773E+02 -0.35833487E+02
|
|
-0.47579612E+02 -0.61069304E+02 -0.76160067E+02 -0.92642198E+02 -0.11024205E+03
|
|
-0.12862705E+03 -0.14741232E+03 -0.16616885E+03 -0.18443292E+03 -0.20171668E+03
|
|
-0.21751955E+03 -0.23134015E+03 -0.24268862E+03 -0.25109892E+03 -0.25614076E+03
|
|
-0.25743108E+03 -0.25464459E+03 -0.24752317E+03 -0.23588403E+03 -0.21962617E+03
|
|
-0.19873522E+03 -0.17328636E+03 -0.14344528E+03 -0.10946719E+03 -0.71693834E+02
|
|
-0.30548487E+02 0.13470796E+02 0.59799710E+02 0.10781775E+03 0.15685956E+03
|
|
0.20622742E+03 0.25520446E+03 0.30306843E+03 0.34910572E+03 0.39262521E+03
|
|
0.43297182E+03 0.46953922E+03 0.50178176E+03 0.52922497E+03 0.55147470E+03
|
|
0.56822462E+03 0.57926178E+03 0.58447036E+03 0.58383336E+03 0.57743217E+03
|
|
0.56544431E+03 0.54813900E+03 0.52587107E+03 0.49907309E+03 0.46824597E+03
|
|
0.43394839E+03 0.39678505E+03 0.35739428E+03 0.31643508E+03 0.27457402E+03
|
|
0.23247222E+03 0.19077268E+03 0.15008834E+03 0.11099095E+03 0.74001180E+02
|
|
0.39579973E+02 0.81214409E+01 -0.20052631E+02 -0.44696578E+02 -0.65642897E+02
|
|
-0.82802544E+02 -0.96163518E+02 -0.10578782E+03 -0.11180688E+03 -0.11441569E+03
|
|
-0.11386560E+03 -0.11045636E+03 -0.10452713E+03 -0.96447212E+02 -0.86606311E+02
|
|
-0.75404829E+02 -0.63244319E+02 -0.50518342E+02 -0.37603929E+02 -0.24853837E+02
|
|
-0.12589753E+02 -0.10965679E+01 0.93821658E+01 0.18647550E+02 0.26547381E+02
|
|
0.32976932E+02 0.37878505E+02 0.41239817E+02 0.43091322E+02 0.43502583E+02
|
|
Real Space Part
|
|
0.00000000E+00 0.40440058E-01 0.32303537E+00 0.10875183E+01 0.25687881E+01
|
|
0.49945250E+01 0.85828426E+01 0.13539991E+02 0.20058124E+02 0.28313145E+02
|
|
0.38462647E+02 0.50643958E+02 0.64972316E+02 0.81539181E+02 0.10041070E+03
|
|
0.12162637E+03 0.14519785E+03 0.17110803E+03 0.19931027E+03 0.22972797E+03
|
|
0.26225431E+03 0.29675226E+03 0.33305501E+03 0.37096648E+03 0.41026235E+03
|
|
0.45069126E+03 0.49197637E+03 0.53381724E+03 0.57589203E+03 0.61786000E+03
|
|
0.65936426E+03 0.70003487E+03 0.73949217E+03 0.77735034E+03 0.81322117E+03
|
|
0.84671801E+03 0.87745986E+03 0.90507558E+03 0.92920815E+03 0.94951886E+03
|
|
0.96569164E+03 0.97743708E+03 0.98449651E+03 0.98664571E+03 0.98369850E+03
|
|
0.97550992E+03 0.96197910E+03 0.94305171E+03 0.91872195E+03 0.88903400E+03
|
|
0.85408294E+03 0.81401510E+03 0.76902773E+03 0.71936815E+03 0.66533207E+03
|
|
0.60726139E+03 0.54554128E+03 0.48059654E+03 0.41288738E+03 0.34290461E+03
|
|
0.27116411E+03 0.19820093E+03 0.12456271E+03 0.50802868E+02 -0.22526450E+02
|
|
-0.94878616E+02 -0.16567063E+03 -0.23224378E+03 -0.29283191E+03 -0.34698728E+03
|
|
-0.39431461E+03 -0.43449327E+03 -0.46728350E+03 -0.49253089E+03 -0.51017009E+03
|
|
-0.52022782E+03 -0.52282473E+03 -0.51817659E+03 -0.50659488E+03 -0.48848566E+03
|
|
-0.46434830E+03 -0.43477284E+03 -0.40043625E+03 -0.36209858E+03 -0.32059683E+03
|
|
-0.27683949E+03 -0.23179863E+03 -0.18650294E+03 -0.14202823E+03 -0.99488661E+02
|
|
-0.60026627E+02 -0.24802202E+02 0.50174272E+01 0.28269645E+02 0.43811868E+02
|
|
0.50505676E+02 0.47255874E+02 0.33747418E+02 0.47583088E+01 0.00000000E+00
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.56049780E-01 0.44619373E+00 0.14935641E+01 0.34996509E+01
|
|
0.67341773E+01 0.11425793E+02 0.17753828E+02 0.25841316E+02 0.35749486E+02
|
|
0.47473862E+02 0.60942075E+02 0.76013483E+02 0.92480592E+02 0.11007228E+03
|
|
0.12845876E+03 0.14725817E+03 0.16604466E+03 0.18435772E+03 0.20171271E+03
|
|
0.21761215E+03 0.23155756E+03 0.24306171E+03 0.25166079E+03 0.25692629E+03
|
|
0.25847639E+03 0.25598641E+03 0.24919823E+03 0.23792827E+03 0.22207406E+03
|
|
0.20161894E+03 0.17663508E+03 0.14728439E+03 0.11381762E+03 0.76571354E+02
|
|
0.35963150E+02 -0.75151739E+01 -0.53305961E+02 -0.10079565E+03 -0.14932603E+03
|
|
-0.19820655E+03 -0.24672745E+03 -0.29417339E+03 -0.33983730E+03 -0.38303418E+03
|
|
-0.42311438E+03 -0.45947640E+03 -0.49157851E+03 -0.51894932E+03 -0.54119677E+03
|
|
-0.55801558E+03 -0.56919281E+03 -0.57461158E+03 -0.57425270E+03 -0.56819443E+03
|
|
-0.55661009E+03 -0.53976382E+03 -0.51800455E+03 -0.49175816E+03 -0.46151833E+03
|
|
-0.42783598E+03 -0.39130774E+03 -0.35256365E+03 -0.31225440E+03 -0.27103836E+03
|
|
-0.22956866E+03 -0.18848074E+03 -0.14838049E+03 -0.10983325E+03 -0.73354034E+02
|
|
-0.39398941E+02 -0.83581587E+01 0.19449505E+02 0.43780382E+02 0.64467972E+02
|
|
0.81423260E+02 0.94633321E+02 0.10415834E+03 0.11012711E+03 0.11273121E+03
|
|
0.11221798E+03 0.10888257E+03 0.10305915E+03 0.95111721E+02 0.85424496E+02
|
|
0.74392343E+02 0.62411340E+02 0.49869753E+02 0.37139599E+02 0.24569003E+02
|
|
0.12475476E+02 0.11402659E+01 -0.91961415E+01 -0.18337294E+02 -0.26132798E+02
|
|
-0.32479094E+02 -0.37319020E+02 -0.40640227E+02 -0.42472538E+02 -0.42884372E+02
|
|
Real Space Part
|
|
0.00000000E+00 -0.39780476E-01 -0.31776567E+00 -0.10697723E+01 -0.25268531E+01
|
|
-0.49129461E+01 -0.84425605E+01 -0.13318514E+02 -0.19729731E+02 -0.27849125E+02
|
|
-0.37831564E+02 -0.49811952E+02 -0.63903428E+02 -0.80195707E+02 -0.98753574E+02
|
|
-0.11961555E+03 -0.14279277E+03 -0.16826800E+03 -0.19599499E+03 -0.22589795E+03
|
|
-0.25787134E+03 -0.29177994E+03 -0.32745918E+03 -0.36471574E+03 -0.40332850E+03
|
|
-0.44304976E+03 -0.48360678E+03 -0.52470364E+03 -0.56602339E+03 -0.60723055E+03
|
|
-0.64797379E+03 -0.68788901E+03 -0.72660261E+03 -0.76373499E+03 -0.79890429E+03
|
|
-0.83173025E+03 -0.86183828E+03 -0.88886355E+03 -0.91245519E+03 -0.93228050E+03
|
|
-0.94802907E+03 -0.95941686E+03 -0.96619010E+03 -0.96812905E+03 -0.96505143E+03
|
|
-0.95681560E+03 -0.94332336E+03 -0.92452234E+03 -0.90040798E+03 -0.87102490E+03
|
|
-0.83646784E+03 -0.79688198E+03 -0.75246258E+03 -0.70345418E+03 -0.65014886E+03
|
|
-0.59288416E+03 -0.53204009E+03 -0.46803562E+03 -0.40132448E+03 -0.33239042E+03
|
|
-0.26174175E+03 -0.18990552E+03 -0.11742109E+03 -0.44833334E+02 0.27314248E+02
|
|
0.98483710E+02 0.16810130E+03 0.23354449E+03 0.29307270E+03 0.34624695E+03
|
|
0.39267996E+03 0.43205805E+03 0.46414723E+03 0.48879758E+03 0.50594693E+03
|
|
0.51562372E+03 0.51794893E+03 0.51313714E+03 0.50149713E+03 0.48343077E+03
|
|
0.45943170E+03 0.43008277E+03 0.39605232E+03 0.35809037E+03 0.31702259E+03
|
|
0.27374490E+03 0.22921566E+03 0.18444885E+03 0.14050468E+03 0.98480951E+02
|
|
0.59503081E+02 0.24713742E+02 -0.47375744E+01 -0.27706044E+02 -0.43066742E+02
|
|
-0.49699000E+02 -0.46524870E+02 -0.33235037E+02 -0.46866666E+01 0.00000000E+00
|
|
PAW radial sets
|
|
359 1.15130561935484
|
|
(5E20.12)
|
|
augmentation charges (non sperical)
|
|
-0.203534909358E+00 0.204077435177E+00 -0.224371814086E+00 0.430149153809E-01 -0.680729413749E-01
|
|
0.118984613428E+00 0.240482949357E+00 0.241707204767E+00 0.204077435177E+00 -0.153520606512E+00
|
|
0.181439658301E+00 -0.118434354951E+00 0.512075918314E-01 -0.104780668804E+00 -0.452623798939E-01
|
|
-0.454693574265E-01 -0.224371814086E+00 0.181439658301E+00 -0.235320031693E+00 0.675178639435E-01
|
|
-0.752027897446E-01 0.136536217192E+00 0.146314877956E+00 0.147176630419E+00 0.430149153809E-01
|
|
-0.118434354951E+00 0.675178639435E-01 0.107685000907E-01 -0.556318564005E-02 0.104351999394E-01
|
|
-0.144951760527E+00 -0.145759777757E+00 -0.680729413749E-01 0.512075918314E-01 -0.752027897446E-01
|
|
-0.556318564005E-02 -0.226771723989E-01 0.349715779282E-01 0.165770512327E-01 0.168452220507E-01
|
|
0.118984613428E+00 -0.104780668804E+00 0.136536217192E+00 0.104351999394E-01 0.349715779282E-01
|
|
-0.542181143681E-01 -0.541135578600E-01 -0.547340900201E-01 0.240482949357E+00 -0.452623798939E-01
|
|
0.146314877956E+00 -0.144951760527E+00 0.165770512327E-01 -0.541135578600E-01 0.847092352743E+00
|
|
0.850110217585E+00 0.241707204767E+00 -0.454693574265E-01 0.147176630419E+00 -0.145759777757E+00
|
|
0.168452220507E-01 -0.547340900201E-01 0.850110217585E+00 0.853141052564E+00
|
|
uccopancies in atom
|
|
0.199999999414E+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 0.200000002005E+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 0.199999998452E+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 0.199999992657E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.142857139454E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
grid
|
|
0.603648618092E-04 0.623277765233E-04 0.643545203271E-04 0.664471687832E-04 0.686078649466E-04
|
|
0.708388215590E-04 0.731423233149E-04 0.755207292013E-04 0.779764749137E-04 0.805120753504E-04
|
|
0.831301271877E-04 0.858333115396E-04 0.886243967029E-04 0.915062409929E-04 0.944817956698E-04
|
|
0.975541079617E-04 0.100726324185E-03 0.104001692966E-03 0.107383568569E-03 0.110875414329E-03
|
|
0.114480806203E-03 0.118203436426E-03 0.122047117297E-03 0.126015785081E-03 0.130113504041E-03
|
|
0.134344470599E-03 0.138713017635E-03 0.143223618921E-03 0.147880893709E-03 0.152689611455E-03
|
|
0.157654696706E-03 0.162781234142E-03 0.168074473787E-03 0.173539836380E-03 0.179182918930E-03
|
|
0.185009500447E-03 0.191025547859E-03 0.197237222125E-03 0.203650884542E-03 0.210273103261E-03
|
|
0.217110660011E-03 0.224170557050E-03 0.231460024328E-03 0.238986526897E-03 0.246757772554E-03
|
|
0.254781719732E-03 0.263066585655E-03 0.271620854749E-03 0.280453287335E-03 0.289572928593E-03
|
|
0.298989117835E-03 0.308711498060E-03 0.318750025836E-03 0.329114981492E-03 0.339816979649E-03
|
|
0.350866980088E-03 0.362276298974E-03 0.374056620448E-03 0.386220008588E-03 0.398778919766E-03
|
|
0.411746215405E-03 0.425135175149E-03 0.438959510462E-03 0.453233378672E-03 0.467971397468E-03
|
|
0.483188659867E-03 0.498900749678E-03 0.515123757452E-03 0.531874296968E-03 0.549169522241E-03
|
|
0.567027145094E-03 0.585465453293E-03 0.604503329277E-03 0.624160269493E-03 0.644456404368E-03
|
|
0.665412518916E-03 0.687050074030E-03 0.709391228457E-03 0.732458861492E-03 0.756276596406E-03
|
|
0.780868824642E-03 0.806260730790E-03 0.832478318380E-03 0.859548436515E-03 0.887498807359E-03
|
|
0.916358054536E-03 0.946155732435E-03 0.976922356484E-03 0.100868943439E-02 0.104148949843E-02
|
|
0.107535613872E-02 0.111032403766E-02 0.114642900545E-02 0.118370801672E-02 0.122219924843E-02
|
|
0.126194211897E-02 0.130297732852E-02 0.134534690071E-02 0.138909422570E-02 0.143426410455E-02
|
|
0.148090279518E-02 0.152905805968E-02 0.157877921324E-02 0.163011717469E-02 0.168312451856E-02
|
|
0.173785552902E-02 0.179436625541E-02 0.185271456964E-02 0.191296022548E-02 0.197516491977E-02
|
|
0.203939235552E-02 0.210570830726E-02 0.217418068832E-02 0.224487962038E-02 0.231787750535E-02
|
|
0.239324909942E-02 0.247107158971E-02 0.255142467324E-02 0.263439063859E-02 0.272005445015E-02
|
|
0.280850383516E-02 0.289982937352E-02 0.299412459056E-02 0.309148605282E-02 0.319201346694E-02
|
|
0.329580978179E-02 0.340298129385E-02 0.351363775613E-02 0.362789249050E-02 0.374586250381E-02
|
|
0.386766860765E-02 0.399343554212E-02 0.412329210354E-02 0.425737127640E-02 0.439581036946E-02
|
|
0.453875115647E-02 0.468634002128E-02 0.483872810778E-02 0.499607147470E-02 0.515853125538E-02
|
|
0.532627382284E-02 0.549947096014E-02 0.567830003626E-02 0.586294418781E-02 0.605359250654E-02
|
|
0.625044023299E-02 0.645368895642E-02 0.666354682130E-02 0.688022874041E-02 0.710395661498E-02
|
|
0.733495956190E-02 0.757347414836E-02 0.781974463416E-02 0.807402322179E-02 0.833657031473E-02
|
|
0.860765478417E-02 0.888755424428E-02 0.917655533657E-02 0.947495402341E-02 0.978305589113E-02
|
|
0.101011764630E-01 0.104296415222E-01 0.107687874457E-01 0.111189615486E-01 0.114805224398E-01
|
|
0.118538403891E-01 0.122392977068E-01 0.126372891350E-01 0.130482222514E-01 0.134725178877E-01
|
|
0.139106105596E-01 0.143629489123E-01 0.148299961797E-01 0.153122306592E-01 0.158101462009E-01
|
|
0.163242527138E-01 0.168550766881E-01 0.174031617337E-01 0.179690691377E-01 0.185533784387E-01
|
|
0.191566880205E-01 0.197796157248E-01 0.204227994841E-01 0.210868979747E-01 0.217725912914E-01
|
|
0.224805816443E-01 0.232115940771E-01 0.239663772107E-01 0.247457040088E-01 0.255503725702E-01
|
|
0.263812069458E-01 0.272390579826E-01 0.281248041950E-01 0.290393526646E-01 0.299836399690E-01
|
|
0.309586331407E-01 0.319653306581E-01 0.330047634674E-01 0.340779960385E-01 0.351861274555E-01
|
|
0.363302925417E-01 0.375116630222E-01 0.387314487235E-01 0.399908988128E-01 0.412913030771E-01
|
|
0.426339932440E-01 0.440203443455E-01 0.454517761263E-01 0.469297544976E-01 0.484557930384E-01
|
|
0.500314545456E-01 0.516583526342E-01 0.533381533901E-01 0.550725770759E-01 0.568633998931E-01
|
|
0.587124558008E-01 0.606216383938E-01 0.625929028419E-01 0.646282678921E-01 0.667298179361E-01
|
|
0.688997051449E-01 0.711401516724E-01 0.734534519319E-01 0.758419749447E-01 0.783081667674E-01
|
|
0.808545529956E-01 0.834837413516E-01 0.861984243539E-01 0.890013820751E-01 0.918954849889E-01
|
|
0.948836969096E-01 0.979690780272E-01 0.101154788042E+00 0.104444089398E+00 0.107840350630E+00
|
|
0.111347049803E+00 0.114967778086E+00 0.118706243420E+00 0.122566274320E+00 0.126551823795E+00
|
|
0.130666973397E+00 0.134915937398E+00 0.139303067108E+00 0.143832855331E+00 0.148509940968E+00
|
|
0.153339113761E+00 0.158325319206E+00 0.163473663613E+00 0.168789419337E+00 0.174278030176E+00
|
|
0.179945116947E+00 0.185796483242E+00 0.191838121371E+00 0.198076218501E+00 0.204517162987E+00
|
|
0.211167550919E+00 0.218034192876E+00 0.225124120900E+00 0.232444595695E+00 0.240003114069E+00
|
|
0.247807416604E+00 0.255865495588E+00 0.264185603198E+00 0.272776259952E+00 0.281646263432E+00
|
|
0.290804697297E+00 0.300260940584E+00 0.310024677313E+00 0.320105906402E+00 0.330514951912E+00
|
|
0.341262473614E+00 0.352359477910E+00 0.363817329102E+00 0.375647761031E+00 0.387862889094E+00
|
|
0.400475222647E+00 0.413497677824E+00 0.426943590757E+00 0.440826731234E+00 0.455161316806E+00
|
|
0.469962027340E+00 0.485244020057E+00 0.501022945053E+00 0.517314961327E+00 0.534136753326E+00
|
|
0.551505548036E+00 0.569439132620E+00 0.587955872636E+00 0.607074730844E+00 0.626815286625E+00
|
|
0.647197756033E+00 0.668243012498E+00 0.689972608202E+00 0.712408796150E+00 0.735574552958E+00
|
|
0.759493602386E+00 0.784190439631E+00 0.809690356412E+00 0.836019466872E+00 0.863204734321E+00
|
|
0.891273998849E+00 0.920256005835E+00 0.950180435387E+00 0.981077932735E+00 0.101298013962E+01
|
|
0.104591972668E+01 0.107993042694E+01 0.111504707033E+01 0.115130561935E+01 0.118874320594E+01
|
|
0.122739816945E+01 0.126731009593E+01 0.130851985870E+01 0.135106966015E+01 0.139500307499E+01
|
|
0.144036509488E+01 0.148720217449E+01 0.153556227909E+01 0.158549493365E+01 0.163705127357E+01
|
|
0.169028409704E+01 0.174524791913E+01 0.180199902760E+01 0.186059554054E+01 0.192109746590E+01
|
|
0.198356676294E+01 0.204806740568E+01 0.211466544841E+01 0.218342909334E+01 0.225442876047E+01
|
|
0.232773715965E+01 0.240342936509E+01 0.248158289221E+01 0.256227777708E+01 0.264559665829E+01
|
|
0.273162486166E+01 0.282045048759E+01 0.291216450128E+01 0.300686082590E+01 0.310463643876E+01
|
|
0.320559147063E+01 0.330982930828E+01 0.341745670037E+01 0.352858386675E+01 0.364332461136E+01
|
|
0.376179643874E+01 0.388412067439E+01 0.401042258903E+01 0.414083152684E+01 0.427548103798E+01
|
|
0.441450901532E+01 0.455805783564E+01 0.470627450550E+01 0.485931081170E+01 0.501732347679E+01
|
|
0.518047431957E+01 0.534893042074E+01 0.552286429407E+01 0.570245406305E+01
|
|
aepotential
|
|
-0.503302807998E+01 -0.286487431140E+01 -0.699861426532E+00 0.146210104297E+01 0.362110692858E+01
|
|
0.577725343767E+01 0.793064117209E+01 0.100813741442E+02 0.122295598047E+02 0.143753090644E+02
|
|
0.165187363233E+02 0.186599595007E+02 0.207991000696E+02 0.229362830881E+02 0.250716372395E+02
|
|
0.272052948679E+02 0.293373920187E+02 0.314680684797E+02 0.335974678231E+02 0.357257374506E+02
|
|
0.378530286341E+02 0.399794965629E+02 0.421053003878E+02 0.442306032667E+02 0.463555724086E+02
|
|
0.484803791204E+02 0.506051988487E+02 0.527302112250E+02 0.548556001068E+02 0.569815536199E+02
|
|
0.591082641954E+02 0.612359286094E+02 0.633647480155E+02 0.654949279780E+02 0.676266784998E+02
|
|
0.697602140478E+02 0.718957535739E+02 0.740335205316E+02 0.761737428870E+02 0.783166531245E+02
|
|
0.804624882468E+02 0.826114897666E+02 0.847639036926E+02 0.869199805057E+02 0.890799751277E+02
|
|
0.912441468783E+02 0.934127594234E+02 0.955860807100E+02 0.977643828903E+02 0.999479422306E+02
|
|
0.102137039007E+03 0.104331957383E+03 0.106532985271E+03 0.108740414180E+03 0.110954539031E+03
|
|
0.113175657965E+03 0.115404072118E+03 0.117640085379E+03 0.119884004111E+03 0.122136136854E+03
|
|
0.124396793991E+03 0.126666287385E+03 0.128944929974E+03 0.131233035338E+03 0.133530917219E+03
|
|
0.135838888998E+03 0.138157263130E+03 0.140486350526E+03 0.142826459886E+03 0.145177896973E+03
|
|
0.147540963829E+03 0.149915957927E+03 0.152303171258E+03 0.154702889340E+03 0.157115390159E+03
|
|
0.159540943023E+03 0.161979807328E+03 0.164432231239E+03 0.166898450271E+03 0.169378685761E+03
|
|
0.171873143241E+03 0.174382010688E+03 0.176905456653E+03 0.179443628259E+03 0.181996649071E+03
|
|
0.184564616804E+03 0.187147600896E+03 0.189745639908E+03 0.192358738760E+03 0.194986865785E+03
|
|
0.197629949598E+03 0.200287875764E+03 0.202960483261E+03 0.205647560726E+03 0.208348842471E+03
|
|
0.211064004261E+03 0.213792658846E+03 0.216534351234E+03 0.219288553687E+03 0.222054660452E+03
|
|
0.224831982184E+03 0.227619740080E+03 0.230417059704E+03 0.233222964484E+03 0.236036368897E+03
|
|
0.238856071306E+03 0.241680746464E+03 0.244508937682E+03 0.247339048634E+03 0.250169334834E+03
|
|
0.252997894755E+03 0.255822660616E+03 0.258641388840E+03 0.261451650188E+03 0.264250819603E+03
|
|
0.267036065772E+03 0.269804340438E+03 0.272552367511E+03 0.275276632000E+03 0.277973368845E+03
|
|
0.280638551689E+03 0.283267881685E+03 0.285856776414E+03 0.288400359022E+03 0.290893447695E+03
|
|
0.293330545611E+03 0.295705831520E+03 0.298013151144E+03 0.300246009578E+03 0.302397564951E+03
|
|
0.304460623582E+03 0.306427636920E+03 0.308290700613E+03 0.310041556031E+03 0.311671594663E+03
|
|
0.313171865805E+03 0.314533088021E+03 0.315745664887E+03 0.316799705583E+03 0.317685050910E+03
|
|
0.318391305399E+03 0.318907876157E+03 0.319224019170E+03 0.319328893785E+03 0.319211626122E+03
|
|
0.318861382159E+03 0.318267451220E+03 0.317419340583E+03 0.316306881840E+03 0.314920349565E+03
|
|
0.313250592741E+03 0.311289179189E+03 0.309028553058E+03 0.306462205136E+03 0.303584855387E+03
|
|
0.300392646696E+03 0.296883348263E+03 0.293056566461E+03 0.288913960215E+03 0.284459457086E+03
|
|
0.279699465236E+03 0.274643075305E+03 0.269302244961E+03 0.263691957513E+03 0.257830344561E+03
|
|
0.251738761222E+03 0.245441801191E+03 0.238967237875E+03 0.232345877320E+03 0.225611308891E+03
|
|
0.218799540987E+03 0.211948511851E+03 0.205097470069E+03 0.198286225926E+03 0.191554283431E+03
|
|
0.184939873317E+03 0.178478918963E+03 0.172203978880E+03 0.166143219540E+03 0.160319479020E+03
|
|
0.154749483480E+03 0.149443273358E+03 0.144403884267E+03 0.139627309339E+03 0.135102747583E+03
|
|
0.130813119532E+03 0.126735810469E+03 0.122843585755E+03 0.119105614185E+03 0.115488534383E+03
|
|
0.111957505235E+03 0.108477192387E+03 0.105012656694E+03 0.101530124873E+03 0.979976357613E+02
|
|
0.943855662634E+02 0.906670488277E+02 0.868182970515E+02 0.828188581650E+02 0.786518111934E+02
|
|
0.743039281098E+02 0.697658127664E+02 0.650320292260E+02 0.601012275573E+02 0.549762713384E+02
|
|
0.496643670436E+02 0.441771910779E+02 0.385310053172E+02 0.327467464154E+02 0.268500676717E+02
|
|
0.208713048483E+02 0.148453291559E+02 0.881124230453E+01 0.281186138066E+01 -0.310706233274E+01
|
|
-0.889794313517E+01 -0.145128170539E+02 -0.199051612986E+02 -0.250320341860E+02 -0.298564254994E+02
|
|
-0.343496316055E+02 -0.384934032553E+02 -0.422815806656E+02 -0.457209523507E+02 -0.488311605019E+02
|
|
-0.516436144898E+02 -0.541995312423E+02 -0.565473542368E+02 -0.587398758097E+02 -0.608313875624E+02
|
|
-0.628751223897E+02 -0.649211561023E+02 -0.670148368180E+02 -0.691957281114E+02 -0.714969974521E+02
|
|
-0.739451546122E+02 -0.765600395092E+02 -0.793549675342E+02 -0.823369558836E+02 -0.855069719788E+02
|
|
-0.888601606744E+02 -0.923860231120E+02 -0.960685309888E+02 -0.998861713495E+02 -0.103811930029E+03
|
|
-0.107813235953E+03 -0.111851909531E+03 -0.115884188668E+03 -0.119860948580E+03 -0.123728286529E+03
|
|
-0.127428701074E+03 -0.130903132292E+03 -0.134094095590E+03 -0.136949969351E+03 -0.139430135207E+03
|
|
-0.141510162885E+03 -0.143185786529E+03 -0.144474368693E+03 -0.145413115234E+03 -0.146054328951E+03
|
|
-0.146458944937E+03 -0.146689959874E+03 -0.146807053577E+03 -0.146863021125E+03 -0.146901993073E+03
|
|
-0.146959047005E+03 -0.147060708846E+03 -0.147225905713E+03 -0.147467058224E+03 -0.147791118249E+03
|
|
-0.148200464412E+03 -0.148693609426E+03 -0.149265737611E+03 -0.149909085319E+03 -0.150613205970E+03
|
|
-0.151365157691E+03 -0.152149654765E+03 -0.152949224289E+03 -0.153744409025E+03 -0.154514056146E+03
|
|
-0.155235728353E+03 -0.155886266287E+03 -0.156442516098E+03 -0.156882210187E+03 -0.157184951549E+03
|
|
-0.157333207175E+03 -0.157313176570E+03 -0.157115387726E+03 -0.156734902011E+03 -0.156171084144E+03
|
|
-0.155426992315E+03 -0.154508528455E+03 -0.153423527424E+03 -0.152180936479E+03 -0.150790197137E+03
|
|
-0.149260844933E+03 -0.147602304604E+03 -0.145823837498E+03 -0.143934530983E+03 -0.141941289580E+03
|
|
-0.139855409238E+03 -0.137685897132E+03 -0.135441728728E+03 -0.133131793382E+03 -0.130764812653E+03
|
|
-0.128349241852E+03 -0.125893166583E+03 -0.123404206030E+03 -0.120889433522E+03 -0.118355323404E+03
|
|
-0.115807731129E+03 -0.113251910877E+03 -0.110692571796E+03 -0.108133969583E+03 -0.105580025594E+03
|
|
-0.103034459670E+03 -0.100500919172E+03 -0.979830828528E+02 -0.954847196828E+02 -0.930096991008E+02
|
|
-0.905619412800E+02 -0.881453272322E+02 -0.857635782839E+02 -0.834201436951E+02 -0.811181015898E+02
|
|
-0.788600912077E+02 -0.766482810217E+02 -0.744843691608E+02 -0.723696089936E+02 -0.703048511417E+02
|
|
-0.682905937269E+02 -0.663270347389E+02 -0.644141198957E+02 -0.625515872038E+02 -0.607390035524E+02
|
|
-0.589757945655E+02 -0.572612684349E+02 -0.555946345501E+02 -0.539750180528E+02 -0.524014714342E+02
|
|
-0.508729842525E+02 -0.493884911695E+02 -0.479468806001E+02 -0.465470021842E+02 -0.451876750414E+02
|
|
-0.438676962366E+02 -0.425858498903E+02 -0.413409162410E+02 -0.401316789477E+02 -0.389569364589E+02
|
|
-0.378155093580E+02 -0.367062482018E+02 -0.356280404933E+02 -0.345798166093E+02 -0.335605545090E+02
|
|
-0.325692870602E+02 -0.316050955193E+02 -0.306671177676E+02 -0.297545478792E+02
|
|
core charge-density
|
|
0.319092380182E-01 0.337999733537E-01 0.358022187563E-01 0.379225036370E-01 0.401677353072E-01
|
|
0.425452204339E-01 0.450626876738E-01 0.477283115463E-01 0.505507376113E-01 0.535391090161E-01
|
|
0.567030944825E-01 0.600529178069E-01 0.635993889483E-01 0.673539367840E-01 0.713286436150E-01
|
|
0.755362815076E-01 0.799903505589E-01 0.847051191807E-01 0.896956664968E-01 0.949779269537E-01
|
|
0.100568737249E+00 0.106485885682E+00 0.112748164042E+00 0.119375422144E+00 0.126388625130E+00
|
|
0.133809913661E+00 0.141662667119E+00 0.149971569952E+00 0.158762681288E+00 0.168063507959E+00
|
|
0.177903081062E+00 0.188312036205E+00 0.199322697569E+00 0.210969165943E+00 0.223287410859E+00
|
|
0.236315366984E+00 0.250093034903E+00 0.264662586451E+00 0.280068474715E+00 0.296357548868E+00
|
|
0.313579173951E+00 0.331785355754E+00 0.351030870897E+00 0.371373402263E+00 0.392873679852E+00
|
|
0.415595627194E+00 0.439606513379E+00 0.464977110787E+00 0.491781858579E+00 0.520099031962E+00
|
|
0.550010917272E+00 0.581603992828E+00 0.614969115545E+00 0.650201713206E+00 0.687401982301E+00
|
|
0.726675091264E+00 0.768131388922E+00 0.811886617896E+00 0.858062132656E+00 0.906785121851E+00
|
|
0.958188834484E+00 0.101241280941E+01 0.106960310758E+01 0.112991254628E+01 0.119350093467E+01
|
|
0.126053530967E+01 0.133119017111E+01 0.140564771518E+01 0.148409806465E+01 0.156673949472E+01
|
|
0.165377865257E+01 0.174543076910E+01 0.184191986081E+01 0.194347891960E+01 0.205035008821E+01
|
|
0.216278481859E+01 0.228104401053E+01 0.240539812717E+01 0.253612728430E+01 0.267352130958E+01
|
|
0.281787976779E+01 0.296951194785E+01 0.312873680699E+01 0.329588286702E+01 0.347128805759E+01
|
|
0.365529950063E+01 0.384827322994E+01 0.405057383963E+01 0.426257405455E+01 0.448465421552E+01
|
|
0.471720167200E+01 0.496061007403E+01 0.521527855556E+01 0.548161080025E+01 0.576001398123E+01
|
|
0.605089756536E+01 0.635467197303E+01 0.667174708365E+01 0.700253057755E+01 0.734742610442E+01
|
|
0.770683126905E+01 0.808113542481E+01 0.847071726589E+01 0.887594220988E+01 0.929715956246E+01
|
|
0.973469945730E+01 0.101888695648E+02 0.106599515648E+02 0.111481973800E+02 0.116538251675E+02
|
|
0.121770150703E+02 0.127179047303E+02 0.132765845679E+02 0.138530928385E+02 0.144474104763E+02
|
|
0.150594557420E+02 0.156890786952E+02 0.163360555162E+02 0.170000827087E+02 0.176807712185E+02
|
|
0.183776405133E+02 0.190901126706E+02 0.198175065332E+02 0.205590319954E+02 0.213137844935E+02
|
|
0.220807397822E+02 0.228587490868E+02 0.236465347304E+02 0.244426863455E+02 0.252456577856E+02
|
|
0.260537648648E+02 0.268651840594E+02 0.276779523132E+02 0.284899680981E+02 0.292989938823E+02
|
|
0.301026601693E+02 0.308984712667E+02 0.316838129495E+02 0.324559621782E+02 0.332120990263E+02
|
|
0.339493209648E+02 0.346646596379E+02 0.353551002468E+02 0.360176036378E+02 0.366491311636E+02
|
|
0.372466723526E+02 0.378072753846E+02 0.383280803238E+02 0.388063550092E+02 0.392395334438E+02
|
|
0.396252564592E+02 0.399614143589E+02 0.402461911680E+02 0.404781100315E+02 0.406560792179E+02
|
|
0.407794380924E+02 0.408480023298E+02 0.408621075482E+02 0.408226504491E+02 0.407311264657E+02
|
|
0.405896628446E+02 0.404010460129E+02 0.401687420356E+02 0.398969089295E+02 0.395903995872E+02
|
|
0.392547540798E+02 0.388961801503E+02 0.385215207877E+02 0.381382078908E+02 0.377542011872E+02
|
|
0.373779117780E+02 0.370181099268E+02 0.366838170097E+02 0.363841818838E+02 0.361283423210E+02
|
|
0.359252725826E+02 0.357836186740E+02 0.357115233108E+02 0.357164431401E+02 0.358049612786E+02
|
|
0.359825987431E+02 0.362536288253E+02 0.366208989335E+02 0.370856647955E+02 0.376474422322E+02
|
|
0.383038819222E+02 0.390506726586E+02 0.398814785463E+02 0.407879153617E+02 0.417595708997E+02
|
|
0.427840735310E+02 0.438472123934E+02 0.449331116278E+02 0.460244598489E+02 0.471027946225E+02
|
|
0.481488401177E+02 0.491428943475E+02 0.500652605298E+02 0.508967151478E+02 0.516190033136E+02
|
|
0.522153501049E+02 0.526709747294E+02 0.529735927488E+02 0.531138902588E+02 0.530859529546E+02
|
|
0.528876325090E+02 0.525208327431E+02 0.519916987505E+02 0.513106935248E+02 0.504925487825E+02
|
|
0.495560795958E+02 0.485238561625E+02 0.474217304845E+02 0.462782208440E+02 0.451237626139E+02
|
|
0.439898399496E+02 0.429080190558E+02 0.419089097362E+02 0.410210875190E+02 0.402700134706E+02
|
|
0.396769925443E+02 0.392582136304E+02 0.390239151057E+02 0.389777183763E+02 0.391161685653E+02
|
|
0.394285158925E+02 0.398967637922E+02 0.404960001224E+02 0.411950166267E+02 0.419572093758E+02
|
|
0.427417396545E+02 0.435049215591E+02 0.442017899682E+02 0.447877913649E+02 0.452205309174E+02
|
|
0.454615029128E+02 0.454777285985E+02 0.452432260436E+02 0.447402409446E+02 0.439601751071E+02
|
|
0.429041616451E+02 0.415832484873E+02 0.400181700549E+02 0.382387054076E+02 0.362826392215E+02
|
|
0.341943620095E+02 0.320231640518E+02 0.298212939462E+02 0.276418663781E+02 0.255367137672E+02
|
|
0.235542820544E+02 0.217376713768E+02 0.201229172852E+02 0.187375973676E+02 0.175998320892E+02
|
|
0.167177277705E+02 0.160892861124E+02 0.157027792117E+02 0.155375636108E+02 0.155652844444E+02
|
|
0.157514000340E+02 0.160569415642E+02 0.164404113982E+02 0.168597174033E+02 0.172740418336E+02
|
|
0.176455495328E+02 0.179408533578E+02 0.181321727497E+02 0.181981422774E+02 0.181242556210E+02
|
|
0.179029407353E+02 0.175333058288E+02 0.170205847653E+02 0.163753523479E+02 0.156125673308E+02
|
|
0.147505126844E+02 0.138096988309E+02 0.128117896964E+02 0.117786026544E+02 0.107312228540E+02
|
|
0.968926091506E+01 0.867027153513E+01 0.768933974648E+01 0.675883192752E+01 0.588830037498E+01
|
|
0.508452383164E+01 0.435166169150E+01 0.369149661381E+01 0.310373930385E+01 0.258636990005E+01
|
|
0.213599264140E+01 0.174818390143E+01 0.141781694839E+01 0.113935673333E+01 0.907108219823E+00
|
|
0.715424599985E+00 0.558873147423E+00 0.432352692614E+00 0.331178375806E+00 0.251130501870E+00
|
|
0.188476932496E+00 0.139970764020E+00 0.102831829253E+00 0.747156155563E-01 0.536738930707E-01
|
|
0.381108799866E-01 0.267379096670E-01 0.185288918470E-01 0.126782356468E-01 0.856234966248E-02
|
|
0.570536729975E-02 0.374936833195E-02 0.242907815466E-02 0.155081732928E-02 0.975335838567E-03
|
|
0.604087899125E-03 0.368296426913E-03 0.220726423948E-03 0.130171333568E-03 0.755863428348E-04
|
|
0.433340558785E-04 0.242030611931E-04 0.132221135727E-04 0.710578107858E-05 0.376459485483E-05
|
|
0.197617913491E-05 0.103941546703E-05 0.560663195611E-06 0.324403177761E-06 0.217149925367E-06
|
|
0.185114758899E-06 0.100936628303E-06 0.435029787088E-07 0.182437024717E-07 0.743776155449E-08
|
|
0.294514141377E-08 0.113159599142E-08 0.421474781411E-09 0.152022100572E-09 0.530447858380E-10
|
|
0.178859000496E-10 0.582139681179E-11 0.182680610492E-11 0.552065902672E-12 0.160468678250E-12
|
|
0.448064872476E-13 0.120026001256E-13 0.308040423540E-14 0.756367916646E-15 0.177429944340E-15
|
|
0.397049157726E-16 0.846290247599E-17 0.171539676983E-17 0.330118741299E-18 0.602147903689E-19
|
|
0.103921836955E-19 0.169394659168E-20 0.260300552947E-21 0.376356939888E-22
|
|
kinetic energy-density
|
|
0.321839215397E+06 0.321202058829E+06 0.320602252127E+06 0.320040755975E+06 0.319518553268E+06
|
|
0.319036650706E+06 0.318596080570E+06 0.318197902385E+06 0.317843204614E+06 0.317533106385E+06
|
|
0.317268759252E+06 0.317051349003E+06 0.316882097498E+06 0.316762264567E+06 0.316693149949E+06
|
|
0.316676095290E+06 0.316712486196E+06 0.316803754354E+06 0.316951379711E+06 0.317156892728E+06
|
|
0.317421876712E+06 0.317747970217E+06 0.318136869534E+06 0.318590331269E+06 0.319110175010E+06
|
|
0.319698286086E+06 0.320356618432E+06 0.321087197557E+06 0.321892123614E+06 0.322773574594E+06
|
|
0.323733809629E+06 0.324775172421E+06 0.325900094792E+06 0.327111100372E+06 0.328410808418E+06
|
|
0.329801937766E+06 0.331287310939E+06 0.332869858386E+06 0.334552622885E+06 0.336338764089E+06
|
|
0.338231563234E+06 0.340234428004E+06 0.342350897560E+06 0.344584647732E+06 0.346939496370E+06
|
|
0.349419408869E+06 0.352028503858E+06 0.354771059048E+06 0.357651517248E+06 0.360674492546E+06
|
|
0.363844776638E+06 0.367167345318E+06 0.370647365107E+06 0.374290200027E+06 0.378101418500E+06
|
|
0.382086800365E+06 0.386252344002E+06 0.390604273539E+06 0.395149046136E+06 0.399893359314E+06
|
|
0.404844158311E+06 0.410008643435E+06 0.415394277385E+06 0.421008792508E+06 0.426860197940E+06
|
|
0.432956786609E+06 0.439307142029E+06 0.445920144844E+06 0.452804979065E+06 0.459971137918E+06
|
|
0.467428429245E+06 0.475186980373E+06 0.483257242359E+06 0.491649993524E+06 0.500376342157E+06
|
|
0.509447728287E+06 0.518875924395E+06 0.528673034924E+06 0.538851494453E+06 0.549424064366E+06
|
|
0.560403827850E+06 0.571804183042E+06 0.583638834123E+06 0.595921780154E+06 0.608667301423E+06
|
|
0.621889943074E+06 0.635604495754E+06 0.649825973009E+06 0.664569585157E+06 0.679850709325E+06
|
|
0.695684855331E+06 0.712087627108E+06 0.729074679285E+06 0.746661668614E+06 0.764864199825E+06
|
|
0.783697765576E+06 0.803177680067E+06 0.823319005945E+06 0.844136474094E+06 0.865644395898E+06
|
|
0.887856567580E+06 0.910786166220E+06 0.934445637070E+06 0.958846571782E+06 0.983999577212E+06
|
|
0.100991413448E+07 0.103659844800E+07 0.106405928419E+07 0.109230179983E+07 0.112132935971E+07
|
|
0.115114334373E+07 0.118174294339E+07 0.121312494785E+07 0.124528351976E+07 0.127820996135E+07
|
|
0.131189247119E+07 0.134631589243E+07 0.138146145330E+07 0.141730650106E+07 0.145382423051E+07
|
|
0.149098340886E+07 0.152874809845E+07 0.156707737957E+07 0.160592507566E+07 0.164523948358E+07
|
|
0.168496311180E+07 0.172503243001E+07 0.176537763359E+07 0.180592242705E+07 0.184658383079E+07
|
|
0.188727201579E+07 0.192789017121E+07 0.196833441044E+07 0.200849372095E+07 0.204824996403E+07
|
|
0.208747793036E+07 0.212604545789E+07 0.216381361802E+07 0.220063697688E+07 0.223636393765E+07
|
|
0.227083717018E+07 0.230389413370E+07 0.233536769801E+07 0.236508686790E+07 0.239287761476E+07
|
|
0.241856381873E+07 0.244196832311E+07 0.246291410201E+07 0.248122554018E+07 0.249672982284E+07
|
|
0.250925843078E+07 0.251864873450E+07 0.252474567841E+07 0.252740354392E+07 0.252648777757E+07
|
|
0.252187686757E+07 0.251346424952E+07 0.250116021894E+07 0.248489382590E+07 0.246461472406E+07
|
|
0.244029494392E+07 0.241193055816E+07 0.237954320467E+07 0.234318143178E+07 0.230292182911E+07
|
|
0.225886990734E+07 0.221116069059E+07 0.215995898679E+07 0.210545930330E+07 0.204788537866E+07
|
|
0.198748930561E+07 0.192455022603E+07 0.185937258483E+07 0.179228393736E+07 0.172363231371E+07
|
|
0.165378315186E+07 0.158311582223E+07 0.151201977585E+07 0.144089036053E+07 0.137012434871E+07
|
|
0.130011526264E+07 0.123124853745E+07 0.116389662414E+07 0.109841410871E+07 0.103513293891E+07
|
|
0.974357851274E+06 0.916362092274E+06 0.861383525717E+06 0.809621215323E+06 0.761232565505E+06
|
|
0.716331095420E+06 0.674984911179E+06 0.637215928823E+06 0.602999886568E+06 0.572267169135E+06
|
|
0.544904449992E+06 0.520757139608E+06 0.499632609586E+06 0.481304144449E+06 0.465515555292E+06
|
|
0.451986372891E+06 0.440417522690E+06 0.430497370647E+06 0.421908017533E+06 0.414331710237E+06
|
|
0.407457232082E+06 0.400986130293E+06 0.394638637726E+06 0.388159147874E+06 0.381321107238E+06
|
|
0.373931197453E+06 0.365832691414E+06 0.356907883168E+06 0.347079510754E+06 0.336311114616E+06
|
|
0.324606301614E+06 0.312006915769E+06 0.298590151176E+06 0.284464678935E+06 0.269765897044E+06
|
|
0.254650448139E+06 0.239290182374E+06 0.223865769376E+06 0.208560182589E+06 0.193552284784E+06
|
|
0.179010753801E+06 0.165088554119E+06 0.151918172228E+06 0.139607766155E+06 0.128238374682E+06
|
|
0.117862269939E+06 0.108502494437E+06 0.100153570793E+06 0.927833197250E+05 0.863356714461E+05
|
|
0.807343106264E+05 0.758869587644E+05 0.716900726730E+05 0.680337255937E+05 0.648064517469E+05
|
|
0.618997454053E+05 0.592122786496E+05 0.566532957243E+05 0.541453922551E+05 0.516264549481E+05
|
|
0.490507607784E+05 0.463892452840E+05 0.436289863948E+05 0.407719819056E+05 0.378333248728E+05
|
|
0.348389019241E+05 0.318227549190E+05 0.288242566005E+05 0.258852557942E+05 0.230473442664E+05
|
|
0.203493899377E+05 0.178254560075E+05 0.155031956949E+05 0.134027768119E+05 0.115363387767E+05
|
|
0.990795706294E+04 0.851405728919E+04 0.734420273847E+04 0.638217621279E+04 0.560726038974E+04
|
|
0.499562940950E+04 0.452175913451E+04 0.415977131542E+04 0.388464325198E+04 0.367318796402E+04
|
|
0.350486392915E+04 0.336225506407E+04 0.323135846727E+04 0.310159869481E+04 0.296567168207E+04
|
|
0.281922801018E+04 0.266045003809E+04 0.248956867648E+04 0.230836122131E+04 0.211966474107E+04
|
|
0.192693183650E+04 0.173384663601E+04 0.154401183821E+04 0.136071017704E+04 0.118673933930E+04
|
|
0.102431367611E+04 0.875024851192E+03 0.739850816469E+03 0.619202003479E+03 0.512993502362E+03
|
|
0.420732622229E+03 0.341612485786E+03 0.274605068124E+03 0.218538962624E+03 0.172188258814E+03
|
|
0.134306786284E+03 0.103706583661E+03 0.792677904505E+02 0.599694436010E+02 0.449016874213E+02
|
|
0.332680406156E+02 0.243872221336E+02 0.176843694092E+02 0.126829396229E+02 0.899400984530E+01
|
|
0.630490569703E+01 0.436790211814E+01 0.298952359173E+01 0.202078451141E+01 0.134855758306E+01
|
|
0.888139587201E+00 0.576997258205E+00 0.369617468864E+00 0.233350509860E+00 0.145118034362E+00
|
|
0.888535597781E-01 0.538131034062E-01 0.318317959927E-01 0.185192093756E-01 0.105803252355E-01
|
|
0.593792014331E-02 0.340827152912E-02 0.183160454896E-02 0.964109726829E-03 0.495528784051E-03
|
|
0.247288973116E-03 0.118463920017E-03 0.531271040698E-04 0.209866442453E-04 0.616615085217E-05
|
|
0.802076448715E-06 0.133404759418E-04 0.571344811982E-05 0.238151845094E-05 0.965260932432E-06
|
|
0.380071493615E-06 0.145243952536E-06 0.538161490460E-07 0.193136897503E-07 0.670653783311E-08
|
|
0.225081619666E-08 0.729295125331E-09 0.227869314798E-09 0.685755416551E-10 0.198526523125E-10
|
|
0.552181164253E-11 0.147363027418E-11 0.376834951203E-12 0.922066752983E-13 0.215573496538E-13
|
|
0.480842924550E-14 0.102168755754E-14 0.206466956355E-15 0.396176633193E-16 0.720606634967E-17
|
|
0.124028137554E-17 0.201637665769E-18 0.309060935805E-19 0.445761882887E-20
|
|
mkinetic energy-density pseudized
|
|
0.923882645622E-05 0.984944264961E-05 0.105004159307E-04 0.111944135962E-04 0.119342792305E-04
|
|
0.127230443576E-04 0.135639408620E-04 0.144604142312E-04 0.154161376731E-04 0.164350271670E-04
|
|
0.175212575082E-04 0.186792794144E-04 0.199138377619E-04 0.212299910271E-04 0.226331320131E-04
|
|
0.241290099463E-04 0.257237540331E-04 0.274238985738E-04 0.292364097360E-04 0.311687140981E-04
|
|
0.332287290786E-04 0.354248953769E-04 0.377662115583E-04 0.402622709246E-04 0.429233008217E-04
|
|
0.457602045450E-04 0.487846060144E-04 0.520088974021E-04 0.554462899082E-04 0.591108678924E-04
|
|
0.630176465824E-04 0.671826335982E-04 0.716228945404E-04 0.763566229157E-04 0.814032146818E-04
|
|
0.867833477208E-04 0.925190665644E-04 0.986338727185E-04 0.105152820958E-03 0.112102621987E-03
|
|
0.119511751880E-03 0.127410568763E-03 0.135831437199E-03 0.144808860801E-03 0.154379623602E-03
|
|
0.164582940777E-03 0.175460619324E-03 0.187057229355E-03 0.199420286726E-03 0.212600447719E-03
|
|
0.226651716607E-03 0.241631666921E-03 0.257601677359E-03 0.274627183270E-03 0.292777944768E-03
|
|
0.312128332566E-03 0.332757632698E-03 0.354750371384E-03 0.378196661359E-03 0.403192571101E-03
|
|
0.429840518455E-03 0.458249690273E-03 0.488536489791E-03 0.520825013570E-03 0.555247559964E-03
|
|
0.591945171185E-03 0.631068211201E-03 0.672776981824E-03 0.717242379516E-03 0.764646595603E-03
|
|
0.815183862769E-03 0.869061250881E-03 0.926499515416E-03 0.987734001956E-03 0.105301561046E-02
|
|
0.112261182327E-02 0.119680780105E-02 0.127590755117E-02 0.136023517325E-02 0.145013618714E-02
|
|
0.154597894853E-02 0.164815615819E-02 0.175708647094E-02 0.187321621095E-02 0.199702120039E-02
|
|
0.212900870895E-02 0.226971953216E-02 0.241973020711E-02 0.257965537458E-02 0.275015029719E-02
|
|
0.293191354412E-02 0.312568985311E-02 0.333227318163E-02 0.355250995973E-02 0.378730255779E-02
|
|
0.403761298341E-02 0.430446682269E-02 0.458895744181E-02 0.489225046638E-02 0.521558855672E-02
|
|
0.556029649863E-02 0.592778663066E-02 0.631956462988E-02 0.673723568001E-02 0.718251104702E-02
|
|
0.765721508935E-02 0.816329273108E-02 0.870281742906E-02 0.927799966625E-02 0.989119600629E-02
|
|
0.105449187462E-01 0.112418462067E-01 0.119848337026E-01 0.127769252373E-01 0.136213659706E-01
|
|
0.145216155093E-01 0.154813620759E-01 0.165045376135E-01 0.175953338878E-01 0.187582196528E-01
|
|
0.199979589497E-01 0.213196306153E-01 0.227286490767E-01 0.242307865211E-01 0.258321965280E-01
|
|
0.275394392615E-01 0.293595083269E-01 0.312998593986E-01 0.333684407386E-01 0.355737257286E-01
|
|
0.379247475491E-01 0.404311361471E-01 0.431031576421E-01 0.459517563324E-01 0.489885994724E-01
|
|
0.522261250019E-01 0.556775924246E-01 0.593571370395E-01 0.632798277491E-01 0.674617286764E-01
|
|
0.719199648438E-01 0.766727921786E-01 0.817396721305E-01 0.871413512031E-01 0.928999457229E-01
|
|
0.990390321876E-01 0.105583743561E+00 0.112560871902E+00 0.119998977747E+00 0.127928506680E+00
|
|
0.136381913570E+00 0.145393794964E+00 0.155001030183E+00 0.165242931676E+00 0.176161405244E+00
|
|
0.187801120772E+00 0.200209694148E+00 0.213437881116E+00 0.227539783806E+00 0.242573070793E+00
|
|
0.258599211541E+00 0.275683726172E+00 0.293896451544E+00 0.313311824694E+00 0.334009184758E+00
|
|
0.356073094555E+00 0.379593683103E+00 0.404667010396E+00 0.431395455865E+00 0.459888132035E+00
|
|
0.490261324976E+00 0.522638963236E+00 0.557153117069E+00 0.593944529851E+00 0.633163183707E+00
|
|
0.674968901488E+00 0.719531987355E+00 0.767033908367E+00 0.817668019593E+00 0.871640335426E+00
|
|
0.929170349915E+00 0.990491909081E+00 0.105585413837E+01 0.112552242851E+01 0.119977948329E+01
|
|
0.127892643284E+01 0.136328401632E+01 0.145319383796E+01 0.154901970070E+01 0.165114902184E+01
|
|
0.175999433512E+01 0.187599488429E+01 0.199961831286E+01 0.213136245528E+01 0.227175723492E+01
|
|
0.242136667418E+01 0.258079102257E+01 0.275066900828E+01 0.293168021932E+01 0.312454762007E+01
|
|
0.333004020925E+01 0.354897582536E+01 0.378222410546E+01 0.403070960316E+01 0.429541507151E+01
|
|
0.457738491606E+01 0.487772882321E+01 0.519762556823E+01 0.553832700685E+01 0.590116225357E+01
|
|
0.628754204856E+01 0.669896331422E+01 0.713701390069E+01 0.760337751790E+01 0.809983884991E+01
|
|
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pspotential valence only
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-0.175120220349E+03 -0.175120148483E+03 -0.175120073837E+03 -0.175119996163E+03 -0.175119915203E+03
|
|
-0.175119830679E+03 -0.175119742301E+03 -0.175119649757E+03 -0.175119552721E+03 -0.175119450844E+03
|
|
-0.175119343755E+03 -0.175119231062E+03 -0.175119112348E+03 -0.175118987169E+03 -0.175118855054E+03
|
|
-0.175118715501E+03 -0.175118567977E+03 -0.175118411915E+03 -0.175118246711E+03 -0.175118071723E+03
|
|
-0.175117886268E+03 -0.175117689616E+03 -0.175117480993E+03 -0.175117259573E+03 -0.175117024476E+03
|
|
-0.175116774766E+03 -0.175116509445E+03 -0.175116227450E+03 -0.175115927646E+03 -0.175115608826E+03
|
|
-0.175115269703E+03 -0.175114908906E+03 -0.175114524970E+03 -0.175114116338E+03 -0.175113681347E+03
|
|
-0.175113218224E+03 -0.175112725079E+03 -0.175112199897E+03 -0.175111640528E+03 -0.175111044679E+03
|
|
-0.175110409905E+03 -0.175109733598E+03 -0.175109012975E+03 -0.175108245067E+03 -0.175107426707E+03
|
|
-0.175106554515E+03 -0.175105624883E+03 -0.175104633964E+03 -0.175103577648E+03 -0.175102451550E+03
|
|
-0.175101250989E+03 -0.175099970968E+03 -0.175098606150E+03 -0.175097150836E+03 -0.175095598940E+03
|
|
-0.175093943963E+03 -0.175092178959E+03 -0.175090296510E+03 -0.175088288687E+03 -0.175086147017E+03
|
|
-0.175083862443E+03 -0.175081425283E+03 -0.175078825181E+03 -0.175076051065E+03 -0.175073091088E+03
|
|
-0.175069932575E+03 -0.175066561960E+03 -0.175062964722E+03 -0.175059125310E+03 -0.175055027070E+03
|
|
-0.175050652156E+03 -0.175045981444E+03 -0.175040994430E+03 -0.175035669124E+03 -0.175029981935E+03
|
|
-0.175023907539E+03 -0.175017418749E+03 -0.175010486358E+03 -0.175003078976E+03 -0.174995162854E+03
|
|
-0.174986701683E+03 -0.174977656383E+03 -0.174967984866E+03 -0.174957641776E+03 -0.174946578210E+03
|
|
-0.174934741400E+03 -0.174922074375E+03 -0.174908515579E+03 -0.174893998454E+03 -0.174878450983E+03
|
|
-0.174861795173E+03 -0.174843946498E+03 -0.174824813273E+03 -0.174804295960E+03 -0.174782286405E+03
|
|
-0.174758666981E+03 -0.174733309648E+03 -0.174706074902E+03 -0.174676810602E+03 -0.174645350680E+03
|
|
-0.174611513694E+03 -0.174575101225E+03 -0.174535896094E+03 -0.174493660383E+03 -0.174448133233E+03
|
|
-0.174399028407E+03 -0.174346031583E+03 -0.174288797359E+03 -0.174226945947E+03 -0.174160059516E+03
|
|
-0.174087678178E+03 -0.174009295569E+03 -0.173924354014E+03 -0.173832239253E+03 -0.173732274703E+03
|
|
-0.173623715248E+03 -0.173505740549E+03 -0.173377447884E+03 -0.173237844523E+03 -0.173085839689E+03
|
|
-0.172920236138E+03 -0.172739721448E+03 -0.172542859116E+03 -0.172328079602E+03 -0.172093671483E+03
|
|
-0.171837772950E+03 -0.171558363897E+03 -0.171253258919E+03 -0.170920101585E+03 -0.170556360405E+03
|
|
-0.170159326966E+03 -0.169726116760E+03 -0.169253673266E+03 -0.168738775889E+03 -0.168178052362E+03
|
|
-0.167567996210E+03 -0.166904989843E+03 -0.166185333767E+03 -0.165405282272E+03 -0.164561085828E+03
|
|
-0.163649040166E+03 -0.162665541779E+03 -0.161607149284E+03 -0.160470649729E+03 -0.159253128591E+03
|
|
-0.157952041921E+03 -0.156565288840E+03 -0.155091282507E+03 -0.153529017866E+03 -0.151878134952E+03
|
|
-0.150138977567E+03 -0.148312648721E+03 -0.146401051083E+03 -0.144404437250E+03 -0.142324811409E+03
|
|
-0.140165734749E+03 -0.137931512196E+03 -0.135628354189E+03 -0.133264806652E+03 -0.130851266650E+03
|
|
-0.128398483490E+03 -0.125917089573E+03 -0.123414687679E+03 -0.120894546721E+03 -0.118357911330E+03
|
|
-0.115808946536E+03 -0.113252445564E+03 -0.110692739638E+03 -0.108133975087E+03 -0.105580022415E+03
|
|
-0.103034459670E+03 -0.100500919172E+03 -0.979830828528E+02 -0.954847196828E+02 -0.930096991008E+02
|
|
-0.905619412800E+02 -0.881453272322E+02 -0.857635782839E+02 -0.834201436951E+02 -0.811181015898E+02
|
|
-0.788600912077E+02 -0.766482810217E+02 -0.744843691608E+02 -0.723696089936E+02 -0.703048511417E+02
|
|
-0.682905937269E+02 -0.663270347389E+02 -0.644141198957E+02 -0.625515872038E+02 -0.607390035524E+02
|
|
-0.589757945655E+02 -0.572612684349E+02 -0.555946345500E+02 -0.539750180528E+02 -0.524014714341E+02
|
|
-0.508729842525E+02 -0.493884911695E+02 -0.479468806001E+02 -0.465470021842E+02 -0.451876750414E+02
|
|
-0.438676962366E+02 -0.425858498903E+02 -0.413409162410E+02 -0.401316789477E+02 -0.389569364589E+02
|
|
-0.378155093580E+02 -0.367062482018E+02 -0.356280404933E+02 -0.345798166093E+02 -0.335605545090E+02
|
|
-0.325692870602E+02 -0.316050955193E+02 -0.306671177676E+02 -0.297545478792E+02
|
|
core charge-density (pseudized)
|
|
0.490550660635E-07 0.522972330045E-07 0.557536825294E-07 0.594385770873E-07 0.633670151575E-07
|
|
0.675550931139E-07 0.720199711779E-07 0.767799437313E-07 0.818545142751E-07 0.872644753433E-07
|
|
0.930319936979E-07 0.991807011553E-07 0.105735791415E-06 0.112724123288E-06 0.120174330748E-06
|
|
0.128116940257E-06 0.136584495843E-06 0.145611692445E-06 0.155235518076E-06 0.165495405372E-06
|
|
0.176433393167E-06 0.188094298740E-06 0.200525901451E-06 0.213779138513E-06 0.227908313698E-06
|
|
0.242971319841E-06 0.259029876057E-06 0.276149780616E-06 0.294401180558E-06 0.313858859100E-06
|
|
0.334602542063E-06 0.356717224531E-06 0.380293519115E-06 0.405428027225E-06 0.432223734886E-06
|
|
0.460790434708E-06 0.491245175751E-06 0.523712743122E-06 0.558326169265E-06 0.595227279045E-06
|
|
0.634567270863E-06 0.676507336170E-06 0.721219319933E-06 0.768886424745E-06 0.819703961480E-06
|
|
0.873880149554E-06 0.931636970077E-06 0.993211075392E-06 0.105885475873E-05 0.112883698796E-05
|
|
0.120344450763E-05 0.128298301386E-05 0.136777840693E-05 0.145817812658E-05 0.155455257561E-05
|
|
0.165729663752E-05 0.176683129455E-05 0.188360535255E-05 0.200809727990E-05 0.214081716797E-05
|
|
0.228230882114E-05 0.243315198495E-05 0.259396472151E-05 0.276540594193E-05 0.294817810605E-05
|
|
0.314303010070E-05 0.335076030809E-05 0.357221987706E-05 0.380831621047E-05 0.406001668314E-05
|
|
0.432835260546E-05 0.461442344896E-05 0.491940135117E-05 0.524453591819E-05 0.559115934466E-05
|
|
0.596069187210E-05 0.635464760801E-05 0.677464072954E-05 0.722239209712E-05 0.769973630525E-05
|
|
0.820862919916E-05 0.875115588833E-05 0.932953928956E-05 0.994614923462E-05 0.106035121798E-04
|
|
0.113043215573E-04 0.120514488102E-04 0.128479551575E-04 0.136971041357E-04 0.146023749702E-04
|
|
0.155674768294E-04 0.165963640216E-04 0.176932521954E-04 0.188626356112E-04 0.201093055541E-04
|
|
0.214383699628E-04 0.228552743569E-04 0.243658241455E-04 0.259762084116E-04 0.276930252663E-04
|
|
0.295233088805E-04 0.314745583008E-04 0.335547681704E-04 0.357724614800E-04 0.381367244821E-04
|
|
0.406572439126E-04 0.433443466716E-04 0.462090421254E-04 0.492630672043E-04 0.525189344788E-04
|
|
0.559899834126E-04 0.596904350011E-04 0.636354500200E-04 0.678411911206E-04 0.723248890284E-04
|
|
0.771049131129E-04 0.822008466197E-04 0.876335668709E-04 0.934253307632E-04 0.995998659116E-04
|
|
0.106182467813E-03 0.113200103425E-03 0.120681521587E-03 0.128657370727E-03 0.137160324348E-03
|
|
0.146225214787E-03 0.155889175820E-03 0.166191794663E-03 0.177175274022E-03 0.188884604822E-03
|
|
0.201367750353E-03 0.214675842548E-03 0.228863391224E-03 0.243988507127E-03 0.260113139676E-03
|
|
0.277303330407E-03 0.295629483116E-03 0.315166651819E-03 0.335994847693E-03 0.358199366255E-03
|
|
0.381871136100E-03 0.407107090608E-03 0.434010564157E-03 0.462691714410E-03 0.493267972426E-03
|
|
0.525864522390E-03 0.560614812923E-03 0.597661102026E-03 0.637155037876E-03 0.679258277806E-03
|
|
0.724143147970E-03 0.771993346360E-03 0.823004691990E-03 0.877385923270E-03 0.935359548779E-03
|
|
0.997162753833E-03 0.106304836650E-02 0.113328588691E-02 0.120816258395E-02 0.128798466379E-02
|
|
0.137307851478E-02 0.146379203374E-02 0.156049603886E-02 0.166358577482E-02 0.177348251601E-02
|
|
0.189063527425E-02 0.201552261757E-02 0.214865460731E-02 0.229057486094E-02 0.244186274874E-02
|
|
0.260313573272E-02 0.277505185694E-02 0.295831239856E-02 0.315366469000E-02 0.336190512277E-02
|
|
0.358388234432E-02 0.382050066006E-02 0.407272365309E-02 0.434157803523E-02 0.462815774340E-02
|
|
0.493362829650E-02 0.525923142835E-02 0.560629001365E-02 0.597621330425E-02 0.637050249431E-02
|
|
0.679075663372E-02 0.723867891012E-02 0.771608332093E-02 0.822490175767E-02 0.876719152592E-02
|
|
0.934514332543E-02 0.996108971565E-02 0.106175140931E-01 0.113170602079E-01 0.120625422483E-01
|
|
0.128569555213E-01 0.137034877605E-01 0.146055310915E-01 0.155666946860E-01 0.165908181366E-01
|
|
0.176819855841E-01 0.188445406301E-01 0.200831020655E-01 0.214025804476E-01 0.228081955544E-01
|
|
0.243054947471E-01 0.259003722658E-01 0.275990894839E-01 0.294082961420E-01 0.313350525779E-01
|
|
0.333868529646E-01 0.355716495616E-01 0.378978779773E-01 0.403744834310E-01 0.430109479915E-01
|
|
0.458173187586E-01 0.488042369346E-01 0.519829677195E-01 0.553654309405E-01 0.589642323015E-01
|
|
0.627926951122E-01 0.668648923238E-01 0.711956786608E-01 0.758007225949E-01 0.806965378611E-01
|
|
0.859005141583E-01 0.914309466136E-01 0.973070635197E-01 0.103549051772E+00 0.110178079341E+00
|
|
0.117216314010E+00 0.124686937502E+00 0.132614153970E+00 0.141023191702E+00 0.149940296717E+00
|
|
0.159392716753E+00 0.169408673946E+00 0.180017324284E+00 0.191248701682E+00 0.203133644254E+00
|
|
0.215703700077E+00 0.228991009441E+00 0.243028160229E+00 0.257848012745E+00 0.273483489911E+00
|
|
0.289967328380E+00 0.307331785712E+00 0.325608298346E+00 0.344827084708E+00 0.365016687399E+00
|
|
0.386203448061E+00 0.408410908198E+00 0.431659128994E+00 0.455963923054E+00 0.481335990963E+00
|
|
0.507779955773E+00 0.535293288926E+00 0.563865121849E+00 0.593474938535E+00 0.624091145963E+00
|
|
0.655669521327E+00 0.688151537799E+00 0.721462574127E+00 0.755510017915E+00 0.790181278009E+00
|
|
0.825341728353E+00 0.860832613997E+00 0.896468959899E+00 0.932037534933E+00 0.967294937178E+00
|
|
0.100196588229E+01 0.103574179450E+01 0.106827981966E+01 0.109920240109E+01 0.112809758231E+01
|
|
0.115452022402E+01 0.117799434645E+01 0.119801682988E+01 0.121406272414E+01 0.122559243024E+01
|
|
0.123206101939E+01 0.123292994349E+01 0.122768136107E+01 0.121583524695E+01 0.119696936582E+01
|
|
0.117074206132E+01 0.113691763276E+01 0.109539383374E+01 0.104623072004E+01 0.989679691782E+00
|
|
0.926211112252E+00 0.856538344412E+00 0.781635434933E+00 0.702745016576E+00 0.621372330746E+00
|
|
0.539260653447E+00 0.458342927488E+00 0.380664183339E+00 0.308269530285E+00 0.243053319373E+00
|
|
0.186566759534E+00 0.139784077472E+00 0.102831528862E+00 0.747156155563E-01 0.536738930707E-01
|
|
0.381108799866E-01 0.267379096670E-01 0.185288918470E-01 0.126782356468E-01 0.856234966248E-02
|
|
0.570536729975E-02 0.374936833195E-02 0.242907815466E-02 0.155081732928E-02 0.975335838567E-03
|
|
0.604087899125E-03 0.368296426913E-03 0.220726423948E-03 0.130171333568E-03 0.755863428348E-04
|
|
0.433340558785E-04 0.242030611931E-04 0.132221135727E-04 0.710578107858E-05 0.376459485483E-05
|
|
0.197617913491E-05 0.103941546703E-05 0.560663195611E-06 0.324403177761E-06 0.217149925367E-06
|
|
0.185114758899E-06 0.100936628303E-06 0.435029787088E-07 0.182437024717E-07 0.743776155449E-08
|
|
0.294514141377E-08 0.113159599142E-08 0.421474781411E-09 0.152022100572E-09 0.530447858380E-10
|
|
0.178859000496E-10 0.582139681179E-11 0.182680610492E-11 0.552065902672E-12 0.160468678250E-12
|
|
0.448064872476E-13 0.120026001256E-13 0.308040423540E-14 0.756367916646E-15 0.177429944340E-15
|
|
0.397049157726E-16 0.846290247599E-17 0.171539676983E-17 0.330118741299E-18 0.602147903689E-19
|
|
0.103921836955E-19 0.169394659168E-20 0.260300552947E-21 0.376356939888E-22
|
|
pseudo wavefunction
|
|
0.142478850732E-03 0.147111907530E-03 0.151895619778E-03 0.156834886415E-03 0.161934765684E-03
|
|
0.167200480305E-03 0.172637422831E-03 0.178251161167E-03 0.184047444271E-03 0.190032208045E-03
|
|
0.196211581409E-03 0.202591892582E-03 0.209179675561E-03 0.215981676812E-03 0.223004862179E-03
|
|
0.230256424017E-03 0.237743788562E-03 0.245474623528E-03 0.253456845967E-03 0.261698630373E-03
|
|
0.270208417055E-03 0.278994920779E-03 0.288067139693E-03 0.297434364543E-03 0.307106188188E-03
|
|
0.317092515421E-03 0.327403573117E-03 0.338049920700E-03 0.349042460963E-03 0.360392451230E-03
|
|
0.372111514884E-03 0.384211653275E-03 0.396705258003E-03 0.409605123614E-03 0.422924460702E-03
|
|
0.436676909436E-03 0.450876553529E-03 0.465537934661E-03 0.480676067374E-03 0.496306454442E-03
|
|
0.512445102756E-03 0.529108539707E-03 0.546313830118E-03 0.564078593718E-03 0.582421023186E-03
|
|
0.601359902783E-03 0.620914627588E-03 0.641105223358E-03 0.661952367041E-03 0.683477407948E-03
|
|
0.705702389619E-03 0.728650072393E-03 0.752343956722E-03 0.776808307235E-03 0.802068177589E-03
|
|
0.828149436122E-03 0.855078792351E-03 0.882883824321E-03 0.911593006848E-03 0.941235740681E-03
|
|
0.971842382611E-03 0.100344427656E-02 0.103607378568E-02 0.106976432548E-02 0.110455039810E-02
|
|
0.114046762757E-02 0.117755279636E-02 0.121584388298E-02 0.125538010095E-02 0.129620193892E-02
|
|
0.133835120211E-02 0.138187105517E-02 0.142680606637E-02 0.147320225323E-02 0.152110712965E-02
|
|
0.157056975459E-02 0.162164078228E-02 0.167437251414E-02 0.172881895230E-02 0.178503585492E-02
|
|
0.184308079331E-02 0.190301321086E-02 0.196489448394E-02 0.202878798475E-02 0.209475914625E-02
|
|
0.216287552912E-02 0.223320689098E-02 0.230582525784E-02 0.238080499786E-02 0.245822289752E-02
|
|
0.253815824023E-02 0.262069288759E-02 0.270591136317E-02 0.279390093911E-02 0.288475172550E-02
|
|
0.297855676268E-02 0.307541211649E-02 0.317541697672E-02 0.327867375867E-02 0.338528820804E-02
|
|
0.349536950925E-02 0.360903039728E-02 0.372638727314E-02 0.384756032307E-02 0.397267364166E-02
|
|
0.410185535899E-02 0.423523777182E-02 0.437295747914E-02 0.451515552210E-02 0.466197752844E-02
|
|
0.481357386174E-02 0.497009977539E-02 0.513171557164E-02 0.529858676587E-02 0.547088425609E-02
|
|
0.564878449805E-02 0.583246968605E-02 0.602212793954E-02 0.621795349592E-02 0.642014690952E-02
|
|
0.662891525711E-02 0.684447235008E-02 0.706703895354E-02 0.729684301254E-02 0.753411988567E-02
|
|
0.777911258626E-02 0.803207203145E-02 0.829325729936E-02 0.856293589464E-02 0.884138402269E-02
|
|
0.912888687278E-02 0.942573891046E-02 0.973224417942E-02 0.100487166133E-01 0.103754803575E-01
|
|
0.107128701016E-01 0.110612314230E-01 0.114209211406E-01 0.117923076816E-01 0.121757714590E-01
|
|
0.125717052622E-01 0.129805146600E-01 0.134026184165E-01 0.138384489215E-01 0.142884526340E-01
|
|
0.147530905410E-01 0.152328386302E-01 0.157281883797E-01 0.162396472625E-01 0.167677392681E-01
|
|
0.173130054409E-01 0.178760044366E-01 0.184573130964E-01 0.190575270406E-01 0.196772612813E-01
|
|
0.203171508554E-01 0.209778514782E-01 0.216600402189E-01 0.223644161981E-01 0.230917013083E-01
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|
0.238426409581E-01 0.246180048414E-01 0.254185877317E-01 0.262452103024E-01 0.270987199750E-01
|
|
0.279799917949E-01 0.288899293365E-01 0.298294656384E-01 0.307995641696E-01 0.318012198282E-01
|
|
0.328354599734E-01 0.339033454917E-01 0.350059718996E-01 0.361444704823E-01 0.373200094721E-01
|
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0.385337952650E-01 0.397870736798E-01 0.410811312593E-01 0.424172966153E-01 0.437969418202E-01
|
|
0.452214838458E-01 0.466923860514E-01 0.482111597229E-01 0.497793656652E-01 0.513986158498E-01
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0.530705751190E-01 0.547969629503E-01 0.565795552819E-01 0.584201864028E-01 0.603207509091E-01
|
|
0.622832057296E-01 0.643095722243E-01 0.664019383568E-01 0.685624609456E-01 0.707933679963E-01
|
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0.730969611184E-01 0.754756180307E-01 0.779317951581E-01 0.804680303246E-01 0.830869455461E-01
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0.857912499274E-01 0.885837426676E-01 0.914673161799E-01 0.944449593288E-01 0.975197607917E-01
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0.100694912549E+00 0.103973713509E+00 0.107359573275E+00 0.110856016056E+00 0.114466684737E+00
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|
0.118195345100E+00 0.122045890221E+00 0.126022345037E+00 0.130128871094E+00 0.134369771486E+00
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0.138749495988E+00 0.143272646397E+00 0.147943982079E+00 0.152768425743E+00 0.157751069431E+00
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0.162897180753E+00 0.168212209350E+00 0.173701793613E+00 0.179371767638E+00 0.185228168446E+00
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0.191277243449E+00 0.197525458165E+00 0.203979504189E+00 0.210646307392E+00 0.217533036363E+00
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0.224647111046E+00 0.231996211570E+00 0.239588287233E+00 0.247431565602E+00 0.255534561663E+00
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0.263906086971E+00 0.272555258718E+00 0.281491508592E+00 0.290724591341E+00 0.300264592856E+00
|
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0.310121937610E+00 0.320307395227E+00 0.330832085920E+00 0.341707484470E+00 0.352945422396E+00
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0.364558087848E+00 0.376558022706E+00 0.388958116284E+00 0.401771594877E+00 0.415012006340E+00
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0.428693198672E+00 0.442829291471E+00 0.457434638896E+00 0.472523782590E+00 0.488111392746E+00
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0.504212195253E+00 0.520840882527E+00 0.538012005290E+00 0.555739842190E+00 0.574038243694E+00
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0.592920446268E+00 0.612398852276E+00 0.632484770547E+00 0.653188111918E+00 0.674517033456E+00
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0.696477524426E+00 0.719072926398E+00 0.742303379280E+00 0.766165184436E+00 0.790650075543E+00
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0.815744387449E+00 0.841428113063E+00 0.867673838367E+00 0.894445546027E+00 0.921697278935E+00
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0.949371656479E+00 0.977398238535E+00 0.100569173536E+01 0.103415006586E+01 0.106265227247E+01
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0.109105630819E+01 0.111919672084E+01 0.114688227089E+01 0.117389353364E+01 0.119998055299E+01
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0.122486063416E+01 0.124821638511E+01 0.126969414205E+01 0.128890294261E+01 0.130541423945E+01
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0.131876257793E+01 0.132844748985E+01 0.133393688071E+01 0.133467220609E+01 0.133007573901E+01
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0.131956022001E+01 0.130254114798E+01 0.127845920276E+01 0.124740044424E+01 0.121001111214E+01
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0.116702771463E+01 0.111922153448E+01 0.106738409005E+01 0.101231291302E+01 0.954797958187E+00
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0.895608916790E+00 0.835483688798E+00 0.775118149827E+00 0.715157398284E+00 0.656188555887E+00
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0.598735184488E+00 0.543253341775E+00 0.490129264986E+00 0.439678639540E+00 0.392147377396E+00
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0.347713797407E+00 0.306492067376E+00 0.268536736055E+00 0.233848155187E+00 0.202378570583E+00
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0.174038651024E+00 0.148704224882E+00 0.126223009237E+00 0.106421141411E+00 0.891093564894E-01
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0.740886899498E-01 0.611556192793E-01 0.501065899796E-01 0.407418979789E-01 0.328689224358E-01
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0.263047207847E-01 0.208780124740E-01 0.164305898353E-01 0.128182042962E-01 0.991098401209E-02
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0.759344488451E-02 0.576416096088E-02 0.433516251063E-02 0.323113090807E-02 0.238845939440E-02
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0.175424879657E-02 0.128530888322E-02 0.947241734607E-03 0.713697381074E-03 0.565920936800E-03
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0.492766508952E-03 0.438252625719E-03 0.290185625418E-03 0.189585469935E-03 0.122158211203E-03
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0.775949148397E-04 0.485662981105E-04 0.299377726563E-04 0.181665115149E-04 0.108459846338E-04
|
|
0.636769754454E-05 0.367430333666E-05 0.208258226595E-05 0.115880774957E-05
|
|
ae wavefunction
|
|
0.708976750965E-02 0.729671083175E-02 0.750963483890E-02 0.772870891851E-02 0.795410702749E-02
|
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|
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0.337568575090E-01 0.347029899113E-01 0.356740525254E-01 0.366706009025E-01 0.376931962012E-01
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0.121564490868E+00 0.124261392448E+00 0.126986887088E+00 0.129739046581E+00 0.132515750179E+00
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0.135314673770E+00 0.138133278703E+00 0.140968800262E+00 0.143818235815E+00 0.146678332635E+00
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0.149545575430E+00 0.152416173598E+00 0.155286048237E+00 0.158150818948E+00 0.161005790462E+00
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0.163845939150E+00 0.166665899457E+00 0.169459950322E+00 0.172222001663E+00 0.174945580982E+00
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0.177623820200E+00 0.180249442795E+00 0.182814751370E+00 0.185311615747E+00 0.187731461738E+00
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0.190065260716E+00 0.192303520161E+00 0.194436275326E+00 0.196453082247E+00 0.198343012253E+00
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0.200094648235E+00 0.201696082881E+00 0.203134919149E+00 0.204398273240E+00 0.205472780363E+00
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0.206344603605E+00 0.206999446241E+00 0.207422567812E+00 0.207598804368E+00 0.207512593238E+00
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0.207148002745E+00 0.206488767280E+00 0.205518328182E+00 0.204219880860E+00 0.202576428627E+00
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0.200570843718E+00 0.198185935957E+00 0.195404529564E+00 0.192209548548E+00 0.188584111181E+00
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0.184511633973E+00 0.179975945576E+00 0.174961411020E+00 0.169453066618E+00 0.163436765849E+00
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0.116024615430E+00 0.106161017981E+00 0.957269451554E-01 0.847240255084E-01 0.731567708361E-01
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|
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0.401362404993E+00 0.366174940111E+00 0.325308741654E+00 0.279043366073E+00 0.227747444368E+00
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0.535280356496E+00 0.636765256527E+00 0.734341295138E+00 0.826973344960E+00 0.913710329305E+00
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0.993698097118E+00 0.106619023815E+01 0.113055672283E+01 0.118629033507E+01 0.123301092901E+01
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0.127046757215E+01 0.129853863764E+01 0.131722989382E+01 0.132667062126E+01 0.132710779186E+01
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0.116702771463E+01 0.111922153448E+01 0.106738409005E+01 0.101231291302E+01 0.954797958187E+00
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0.895608916790E+00 0.835483688798E+00 0.775118149827E+00 0.715157398284E+00 0.656188555887E+00
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0.598735184488E+00 0.543253341775E+00 0.490129264986E+00 0.439678639540E+00 0.392147377396E+00
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0.347713797407E+00 0.306492067376E+00 0.268536736055E+00 0.233848155187E+00 0.202378570583E+00
|
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0.174038651024E+00 0.148704224882E+00 0.126223009237E+00 0.106421141411E+00 0.891093564894E-01
|
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0.740886899498E-01 0.611556192793E-01 0.501065899796E-01 0.407418979789E-01 0.328689224358E-01
|
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0.263047207847E-01 0.208780124740E-01 0.164305898353E-01 0.128182042962E-01 0.991098401209E-02
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0.759344488451E-02 0.576416096088E-02 0.433516251063E-02 0.323113090807E-02 0.238845939440E-02
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0.175424879657E-02 0.128530888322E-02 0.947241734607E-03 0.713697381074E-03 0.565920936800E-03
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0.492766508952E-03 0.438252625719E-03 0.290185625418E-03 0.189585469935E-03 0.122158211203E-03
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0.775949148397E-04 0.485662981105E-04 0.299377726563E-04 0.181665115149E-04 0.108459846338E-04
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0.636769754454E-05 0.367430333666E-05 0.208258226595E-05 0.115880774957E-05
|
|
pseudo wavefunction
|
|
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ae wavefunction
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0.131264096125E+00 0.182395034745E+00 0.233434627216E+00 0.283942299567E+00 0.333492998184E+00
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0.381681857939E+00 0.428128339161E+00 0.472479755549E+00 0.514414130341E+00 0.553642342271E+00
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0.589909556783E+00 0.622995977771E+00 0.652716998315E+00 0.678922865074E+00 0.701497994953E+00
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0.720360087186E+00 0.735459156720E+00 0.746776579660E+00 0.754324194637E+00 0.758143461418E+00
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0.758304640026E+00 0.754905929892E+00 0.748072499399E+00 0.737955339491E+00 0.724729886510E+00
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0.708594375437E+00 0.689767901968E+00 0.668488188342E+00 0.645009060847E+00 0.619597660409E+00
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0.592531416131E+00 0.564094819730E+00 0.534576046064E+00 0.504263469280E+00 0.473442129257E+00
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0.442390218221E+00 0.411375643198E+00 0.380652739982E+00 0.350459209574E+00 0.321013348798E+00
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0.292511644319E+00 0.265126793267E+00 0.239006204909E+00 0.214271024399E+00 0.191015703605E+00
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0.169308129153E+00 0.149190296244E+00 0.130679498198E+00 0.113769983494E+00 0.984350157784E-01
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0.846292593931E-01 0.722914047508E-01 0.613469380195E-01 0.517109655096E-01
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|
pseudo wavefunction
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0.545825465988E+00 0.499108262804E+00 0.454191664251E+00 0.411306664694E+00 0.370637505925E+00
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0.332323258258E+00 0.296460136653E+00 0.263104404066E+00 0.232275709907E+00 0.203960722002E+00
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0.178116927688E+00 0.154676500895E+00 0.133550153299E+00 0.114630905310E+00 0.977977260159E-01
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0.829190005503E-01 0.698557897484E-01 0.584648516554E-01 0.486013984763E-01 0.401215670261E-01
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0.328845856563E-01 0.267546263307E-01 0.216023369221E-01 0.173060555591E-01 0.137527156714E-01
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0.108384569360E-01 0.846896329165E-02 0.655955433602E-02 0.503506058265E-02 0.382951610723E-02
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0.288570411481E-02 0.215459199313E-02 0.159469275702E-02 0.117138985216E-02 0.856262792000E-03
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0.626453184522E-03 0.464116122060E-03 0.356013771196E-03 0.293331498964E-03 0.271841003244E-03
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0.201436066275E-03 0.132839895249E-03 0.864251951885E-04 0.554474503324E-04
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|
pseudo wavefunction
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|
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0.669361586811E+00 0.809238443578E+00 0.939371570340E+00 0.105523444787E+01 0.115207245840E+01
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0.122509130258E+01 0.126998815282E+01 0.128344113076E+01 0.126275345099E+01 0.120596602502E+01
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0.111205090379E+01 0.981111242630E+00 0.814579490831E+00 0.615402393975E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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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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0.264727845125E-04 0.279776594319E-04 0.295644468147E-04 0.312378179001E-04 0.330027016845E-04
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0.348642997981E-04 0.368281022242E-04 0.388999039084E-04 0.410858223111E-04 0.433923159566E-04
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0.458262040400E-04 0.483946871528E-04 0.511053691927E-04 0.539662805292E-04 0.569859024960E-04
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0.601731932909E-04 0.635376153643E-04 0.670891643844E-04 0.708383998718E-04 0.747964776017E-04
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0.789751838767E-04 0.833869717819E-04 0.880449995363E-04 0.929631710667E-04 0.981561789310E-04
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0.103639549733E-03 0.109429692169E-03 0.115543947870E-03 0.122000645191E-03 0.128819156135E-03
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0.136019956576E-03 0.143624689997E-03 0.151656234930E-03 0.160138776325E-03 0.169097881068E-03
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0.178560577906E-03 0.188555442015E-03 0.199112684498E-03 0.210264247095E-03 0.222043902401E-03
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0.234487359921E-03 0.247632378289E-03 0.261518884020E-03 0.276189097161E-03 0.291687664237E-03
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0.308061798921E-03 0.325361430859E-03 0.343639363118E-03 0.362951438752E-03 0.383356716998E-03
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0.404917659648E-03 0.427700328170E-03 0.451774592180E-03 0.477214349900E-03 0.504097761271E-03
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0.532507494417E-03 0.562530986197E-03 0.594260717621E-03 0.627794504939E-03 0.663235807242E-03
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0.153052272871E+00 0.215820689867E+00 0.277986011616E+00 0.338732590119E+00 0.397220971553E+00
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0.452598966720E+00 0.504013610927E+00 0.550623887782E+00 0.591614080969E+00 0.626207590843E+00
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0.653681006675E+00 0.673378169585E+00 0.684723911208E+00 0.687237123492E+00 0.680542813165E+00
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0.664382819833E+00 0.638624923378E+00 0.603270125991E+00 0.558457958727E+00 0.504469724671E+00
|
|
0.441729645358E+00 0.370803920483E+00 0.292397741496E+00 0.207350317946E+00 0.116627983442E+00
|
|
0.213154495324E-01 -0.773947249789E-01 -0.178214380294E+00 -0.279773641226E+00 -0.380636350903E+00
|
|
-0.479316939130E+00 -0.574298585932E+00 -0.664052516893E+00 -0.747058252600E+00 -0.821824636818E+00
|
|
-0.886911490390E+00 -0.940951777145E+00 -0.982674213099E+00 -0.101092628335E+01 -0.102469763366E+01
|
|
-0.102314376725E+01 -0.100560989861E+01 -0.971654719085E+00 -0.921073725867E+00 -0.853921680366E+00
|
|
-0.770533700027E+00 -0.671544443706E+00 -0.557904815483E+00 -0.430895569118E+00 -0.292137111838E+00
|
|
-0.143594717481E+00 0.124214374629E-01 0.173262857123E+00 0.335956996473E+00 0.497230537901E+00
|
|
0.653543189892E+00 0.801133599285E+00 0.936079016487E+00 0.105437032092E+01 0.115200386382E+01
|
|
0.122509130258E+01 0.126998815282E+01 0.128344113076E+01 0.126275345099E+01 0.120596602502E+01
|
|
0.111205090379E+01 0.981111242630E+00 0.814579490831E+00 0.615402393975E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
0.807319243259E-12 0.888663974226E-12 0.978204924090E-12 0.107676793618E-11 0.118526206504E-11
|
|
0.130468796068E-11 0.143614709768E-11 0.158085193414E-11 0.174013709433E-11 0.191547167800E-11
|
|
0.210847281000E-11 0.232092055517E-11 0.255477433601E-11 0.281219100459E-11 0.309554473536E-11
|
|
0.340744892237E-11 0.375078028279E-11 0.412870538909E-11 0.454470987463E-11 0.500263058188E-11
|
|
0.550669094997E-11 0.606153996776E-11 0.667229505184E-11 0.734458924489E-11 0.808462316963E-11
|
|
0.889922221771E-11 0.979589950075E-11 0.107829251444E-10 0.118694025645E-10 0.130653524281E-10
|
|
0.143818050756E-10 0.158309022538E-10 0.174260091003E-10 0.191818374116E-10 0.211145813306E-10
|
|
0.232420667066E-10 0.255839155046E-10 0.281617267802E-10 0.309992758890E-10 0.341227337689E-10
|
|
0.375609083164E-10 0.413455100839E-10 0.455114447489E-10 0.500971350513E-10 0.551448751693E-10
|
|
0.607012208014E-10 0.668174185539E-10 0.735498785909E-10 0.809606949103E-10 0.891182180407E-10
|
|
0.980976854431E-10 0.107981915432E-09 0.118862071013E-09 0.130838500688E-09 0.144021663973E-09
|
|
0.158533150178E-09 0.174506799828E-09 0.192089939089E-09 0.211444738561E-09 0.232749708993E-09
|
|
0.256201347694E-09 0.282015950845E-09 0.310431608407E-09 0.341710400043E-09 0.376140812291E-09
|
|
0.414040399294E-09 0.455758711618E-09 0.501680520175E-09 0.552229364987E-09 0.607871461516E-09
|
|
0.669120000591E-09 0.736539881592E-09 0.810752922541E-09 0.892443595154E-09 0.982365337751E-09
|
|
0.108134750425E-08 0.119030301331E-08 0.131023676823E-08 0.144225492518E-08 0.158757509531E-08
|
|
0.174753757482E-08 0.192361770648E-08 0.211743948682E-08 0.233079054416E-08 0.256563862598E-08
|
|
0.282414974744E-08 0.310870816848E-08 0.342193838385E-08 0.376672932876E-08 0.414626102346E-08
|
|
0.456403390241E-08 0.502390109871E-08 0.553010398128E-08 0.608731127282E-08 0.670066210907E-08
|
|
0.737581343667E-08 0.811899218669E-08 0.893705270498E-08 0.983753996904E-08 0.108287591744E-07
|
|
0.119198523323E-07 0.131208825852E-07 0.144429270170E-07 0.158981788156E-07 0.175000597276E-07
|
|
0.192633438448E-07 0.212042938611E-07 0.233408110603E-07 0.256926004134E-07 0.282813523124E-07
|
|
0.311309426129E-07 0.342676528330E-07 0.377204125370E-07 0.415210661412E-07 0.457046665997E-07
|
|
0.503097986814E-07 0.553789348166E-07 0.609588267961E-07 0.671009369347E-07 0.738619126742E-07
|
|
0.813041090028E-07 0.894961635081E-07 0.985136293661E-07 0.108439672102E-06 0.119365836549E-06
|
|
0.131392891072E-06 0.144631756852E-06 0.159204530779E-06 0.175245611404E-06 0.192902938320E-06
|
|
0.212339356402E-06 0.233734117477E-06 0.257284533278E-06 0.283207794909E-06 0.311742975597E-06
|
|
0.343153235196E-06 0.377728246759E-06 0.415786867534E-06 0.457680079027E-06 0.503794223197E-06
|
|
0.554554564634E-06 0.610429211526E-06 0.671933431559E-06 0.739634402512E-06 0.814156441312E-06
|
|
0.896186759741E-06 0.986481799792E-06 0.108587420706E-05 0.119528050636E-05 0.131570955036E-05
|
|
0.144827181885E-05 0.159418965449E-05 0.175480852913E-05 0.193160944448E-05 0.212622258130E-05
|
|
0.234044232262E-05 0.257624378945E-05 0.283580104088E-05 0.312150710623E-05 0.343599603336E-05
|
|
0.378216715600E-05 0.416321180312E-05 0.458264269606E-05 0.504432630343E-05 0.555251845118E-05
|
|
0.611190351494E-05 0.672763755463E-05 0.740539578728E-05 0.815142483395E-05 0.897260022002E-05
|
|
0.987648965639E-05 0.108714226818E-04 0.119665673047E-04 0.131720143465E-04 0.144988702594E-04
|
|
0.159593592675E-04 0.175669357663E-04 0.193364080086E-04 0.212840742062E-04 0.234278722915E-04
|
|
0.257875447058E-04 0.283848197169E-04 0.312436109187E-04 0.343902367303E-04 0.378536618916E-04
|
|
0.416657631507E-04 0.458616215563E-04 0.504798440079E-04 0.555629169777E-04 0.611575956052E-04
|
|
0.673153316855E-04 0.740927444124E-04 0.815521381232E-04 0.897620717058E-04 0.987979847851E-04
|
|
0.108742886309E-03 0.119688111698E-03 0.131734155333E-03 0.144991585792E-03 0.159582051999E-03
|
|
0.175639389205E-03 0.193310834587E-03 0.212758363222E-03 0.234160156170E-03 0.257712213562E-03
|
|
0.283630126804E-03 0.312151025323E-03 0.343535714759E-03 0.378071025089E-03 0.416072388864E-03
|
|
0.457886671647E-03 0.503895278754E-03 0.554517564606E-03 0.610214573382E-03 0.671493142281E-03
|
|
0.738910401436E-03 0.813078707591E-03 0.894671051874E-03 0.984426985472E-03 0.108315911079E-02
|
|
0.119176018965E-02 0.131121092442E-02 0.144258847237E-02 0.158707575864E-02 0.174597165802E-02
|
|
0.192070212132E-02 0.211283232773E-02 0.232407995025E-02 0.255632962767E-02 0.281164874238E-02
|
|
0.309230461023E-02 0.340078319429E-02 0.373980946140E-02 0.411236950609E-02 0.452173457235E-02
|
|
0.497148710920E-02 0.546554900044E-02 0.600821211261E-02 0.660417130757E-02 0.725856006660E-02
|
|
0.797698887144E-02 0.876558648343E-02 0.963104425444E-02 0.105806635916E-01 0.116224066810E-01
|
|
0.127649505537E-01 0.140177445471E-01 0.153910711760E-01 0.168961103820E-01 0.185450070658E-01
|
|
0.203509417377E-01 0.223282040280E-01 0.244922686933E-01 0.268598736223E-01 0.294490991946E-01
|
|
0.322794481584E-01 0.353719249857E-01 0.387491134102E-01 0.424352505685E-01 0.464562958334E-01
|
|
0.508399920507E-01 0.556159164606E-01 0.608155181051E-01 0.664721379817E-01 0.726210076066E-01
|
|
0.792992209990E-01 0.865456743888E-01 0.944009671951E-01 0.102907257028E+00 0.112108060656E+00
|
|
0.122047992053E+00 0.132772427877E+00 0.144327089993E+00 0.156757534089E+00 0.170108533021E+00
|
|
0.184423343411E+00 0.199742844287E+00 0.216104537310E+00 0.233541399563E+00 0.252080582120E+00
|
|
0.271741950872E+00 0.292536470618E+00 0.314464439383E+00 0.337513587655E+00 0.361657066864E+00
|
|
0.386851363253E+00 0.413034187414E+00 0.440122406267E+00 0.468010102994E+00 0.496566871210E+00
|
|
0.525636471677E+00 0.555036002273E+00 0.584555753130E+00 0.613959936645E+00 0.642988493562E+00
|
|
0.671360177693E+00 0.698777108194E+00 0.724930944032E+00 0.749510773546E+00 0.772212715582E+00
|
|
0.792751090265E+00 0.810870830251E+00 0.826360562833E+00 0.839065498699E+00 0.848898920065E+00
|
|
0.855850684272E+00 0.859990776677E+00 0.861465603845E+00 0.860484480666E+00 0.857293722897E+00
|
|
0.852136024504E+00 0.845193513279E+00 0.836514187229E+00 0.825935034786E+00 0.813364585903E+00
|
|
0.798941256753E+00 0.782820487003E+00 0.765157770898E+00 0.746106807227E+00 0.725817970607E+00
|
|
0.704437156634E+00 0.682105017633E+00 0.658956567675E+00 0.635121101319E+00 0.610722351400E+00
|
|
0.585878801661E+00 0.560704073488E+00 0.535307318691E+00 0.509793567294E+00 0.484263996819E+00
|
|
0.458816105071E+00 0.433543780680E+00 0.408537274361E+00 0.383883078617E+00 0.359663727638E+00
|
|
0.335957529847E+00 0.312838246011E+00 0.290374725993E+00 0.268630517247E+00 0.247663458722E+00
|
|
0.227525147020E+00 0.208261054172E+00 0.189909395664E+00 0.172501330558E+00 0.156060578109E+00
|
|
0.140603242946E+00 0.126137733317E+00 0.112664784810E+00 0.100177598355E+00 0.886620970847E-01
|
|
0.780973033928E-01 0.684558314178E-01 0.597044856240E-01 0.518049515919E-01 0.447145611600E-01
|
|
0.383871110761E-01 0.327737127911E-01 0.278236479726E-01 0.234852075752E-01
|
|
ae wavefunction
|
|
0.580275933613E-08 0.633104034435E-08 0.690426202298E-08 0.752650934393E-08 0.820221962992E-08
|
|
0.893621471176E-08 0.973373591151E-08 0.106004821099E-07 0.115426511820E-07 0.125669851107E-07
|
|
0.136808191155E-07 0.148921351646E-07 0.162096202719E-07 0.176427300176E-07 0.192017577699E-07
|
|
0.208979101307E-07 0.227433891747E-07 0.247514821036E-07 0.269366589970E-07 0.293146793990E-07
|
|
0.319027085535E-07 0.347194441729E-07 0.377852547058E-07 0.411223301632E-07 0.447548466552E-07
|
|
0.487091459010E-07 0.530139310907E-07 0.577004806059E-07 0.628028812454E-07 0.683582827566E-07
|
|
0.744071756407E-07 0.809936943821E-07 0.881659484548E-07 0.959763836764E-07 0.104482176723E-06
|
|
0.113745665875E-06 0.123834821367E-06 0.134823758999E-06 0.146793301053E-06 0.159831588892E-06
|
|
0.174034752069E-06 0.189507639187E-06 0.206364616290E-06 0.224730439047E-06 0.244741205649E-06
|
|
0.266545397918E-06 0.290305018892E-06 0.316196835883E-06 0.344413738869E-06 0.375166225017E-06
|
|
0.408684021118E-06 0.445217856849E-06 0.485041402990E-06 0.528453390022E-06 0.575779924020E-06
|
|
0.627377018309E-06 0.683633361109E-06 0.744973341280E-06 0.811860356350E-06 0.884800429286E-06
|
|
0.964346162936E-06 0.105110106379E-05 0.114572426967E-05 0.124893571914E-05 0.136152180410E-05
|
|
0.148434155069E-05 0.161833337810E-05 0.176452248914E-05 0.192402895189E-05 0.209807653686E-05
|
|
0.228800238033E-05 0.249526755088E-05 0.272146860355E-05 0.296835021350E-05 0.323781898988E-05
|
|
0.353195857958E-05 0.385304618090E-05 0.420357059797E-05 0.458625197894E-05 0.500406339375E-05
|
|
0.546025442194E-05 0.595837693593E-05 0.650231328262E-05 0.709630708394E-05 0.774499689743E-05
|
|
0.845345299928E-05 0.922721757606E-05 0.100723486367E-04 0.109954679847E-04 0.120038136194E-04
|
|
0.131052969703E-04 0.143085654011E-04 0.156230704604E-04 0.170591423981E-04 0.186280715100E-04
|
|
0.203421969232E-04 0.222150034882E-04 0.242612274994E-04 0.264969720284E-04 0.289398327215E-04
|
|
0.316090349831E-04 0.345255835472E-04 0.377124255178E-04 0.411946280557E-04 0.449995719786E-04
|
|
0.491571626507E-04 0.537000596457E-04 0.586639267897E-04 0.640877043151E-04 0.700139049953E-04
|
|
0.764889362758E-04 0.835634505728E-04 0.912927260756E-04 0.997370805678E-04 0.108962320966E-03
|
|
0.119040231478E-03 0.130049103486E-03 0.142074310494E-03 0.155208931693E-03 0.169554427963E-03
|
|
0.185221374378E-03 0.202330253548E-03 0.221012314413E-03 0.241410501400E-03 0.263680459147E-03
|
|
0.287991618309E-03 0.314528368279E-03 0.343491322972E-03 0.375098686162E-03 0.409587723163E-03
|
|
0.447216345984E-03 0.488264819415E-03 0.533037595776E-03 0.581865286394E-03 0.635106778109E-03
|
|
0.693151503373E-03 0.756421872710E-03 0.825375878460E-03 0.900509878845E-03 0.982361571439E-03
|
|
0.107151316508E-02 0.116859475912E-02 0.127428793875E-02 0.138932959456E-02 0.151451597432E-02
|
|
0.165070697392E-02 0.179883067378E-02 0.195988812588E-02 0.213495839511E-02 0.232520385723E-02
|
|
0.253187575359E-02 0.275632000059E-02 0.299998324915E-02 0.326441918638E-02 0.355129506807E-02
|
|
0.386239846654E-02 0.419964421365E-02 0.456508151375E-02 0.496090119509E-02 0.538944306188E-02
|
|
0.585320330162E-02 0.635484189403E-02 0.689718995918E-02 0.748325697185E-02 0.811623775874E-02
|
|
0.879951918277E-02 0.953668640603E-02 0.103315286085E-01 0.111880440250E-01 0.121104441460E-01
|
|
0.131031569112E-01 0.141708287066E-01 0.153183249556E-01 0.165507290759E-01 0.178733395522E-01
|
|
0.192916648554E-01 0.208114159141E-01 0.224384958279E-01 0.241789864864E-01 0.260391317418E-01
|
|
0.280253167620E-01 0.301440431764E-01 0.324018996104E-01 0.348055271953E-01 0.373615796319E-01
|
|
0.400766773815E-01 0.429573555620E-01 0.460100051309E-01 0.492408069538E-01 0.526556583757E-01
|
|
0.562600919446E-01 0.600591859767E-01 0.640574667026E-01 0.682588018009E-01 0.726662852018E-01
|
|
0.772821131404E-01 0.821074515507E-01 0.871422950213E-01 0.923853176897E-01 0.978337166206E-01
|
|
0.103483048413E+00 0.109327060003E+00 0.115357514855E+00 0.121564016031E+00 0.127933827867E+00
|
|
0.134451698326E+00 0.141099684382E+00 0.147856983124E+00 0.154699771578E+00 0.161601058552E+00
|
|
0.168530552110E+00 0.175454546510E+00 0.182335832706E+00 0.189133636622E+00 0.195803589595E+00
|
|
0.202297735379E+00 0.208564578165E+00 0.214549175996E+00 0.220193283918E+00 0.225435551054E+00
|
|
0.230211775661E+00 0.234455222007E+00 0.238097002558E+00 0.241066528487E+00 0.243292030820E+00
|
|
0.244701153529E+00 0.245221618712E+00 0.244781962493E+00 0.243312338744E+00 0.240745386064E+00
|
|
0.237017151967E+00 0.232068066785E+00 0.225843958646E+00 0.218297099872E+00 0.209387274306E+00
|
|
0.199082854364E+00 0.187361875828E+00 0.174213097622E+00 0.159637032768E+00 0.143646935490E+00
|
|
0.126269727875E+00 0.107546847693E+00 0.875349969426E-01 0.663067686452E-01 0.439511275568E-01
|
|
0.205737191565E-01 -0.370301909190E-02 -0.287399692091E-01 -0.543816891280E-01 -0.804570315145E-01
|
|
-0.106780035615E+00 -0.133151094426E+00 -0.159358390652E+00 -0.185179587254E+00 -0.210383753726E+00
|
|
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0.383871110761E-01 0.327737127911E-01 0.278236479726E-01 0.234852075752E-01
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|
pseudo wavefunction
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-0.935780797373E-02 0.154770435226E+00 0.322452863603E+00 0.491744744524E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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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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-0.154026820925E+00 -0.163639264176E+00 -0.173668311626E+00 -0.184111184530E+00 -0.194962144595E+00
|
|
-0.206212166978E+00 -0.217848601654E+00 -0.229854825568E+00 -0.242209888520E+00 -0.254888156288E+00
|
|
-0.267858955102E+00 -0.281086222206E+00 -0.294528167903E+00 -0.308136955075E+00 -0.321858402846E+00
|
|
-0.335631721584E+00 -0.349389286993E+00 -0.363056461480E+00 -0.376551471331E+00 -0.389785348464E+00
|
|
-0.402661945691E+00 -0.415078034412E+00 -0.426923493635E+00 -0.438081599053E+00 -0.448429420718E+00
|
|
-0.457838337512E+00 -0.466174676228E+00 -0.473300482393E+00 -0.479074428994E+00 -0.483352867884E+00
|
|
-0.485991026674E+00 -0.486844351521E+00 -0.485769993285E+00 -0.482628431393E+00 -0.477285226501E+00
|
|
-0.469612889963E+00 -0.459492855325E+00 -0.446817534645E+00 -0.431492440449E+00 -0.413438352378E+00
|
|
-0.392593506068E+00 -0.368915780242E+00 -0.342384856238E+00 -0.313004322096E+00 -0.280803690657E+00
|
|
-0.245840297925E+00 -0.208201044101E+00 -0.168003935533E+00 -0.125399381519E+00 -0.805711960527E-01
|
|
-0.337372518292E-01 0.148502670249E-01 0.649050651404E-01 0.116107435187E+00 0.168105492897E+00
|
|
0.220516970949E+00 0.272931578232E+00 0.324913913513E+00 0.376006907352E+00 0.425735757053E+00
|
|
0.473612319113E+00 0.519139931181E+00 0.561818645272E+00 0.601150856321E+00 0.636647296622E+00
|
|
0.667833335298E+00 0.694255479872E+00 0.715487936497E+00 0.731139058203E+00 0.740857502334E+00
|
|
0.744337929211E+00 0.741326099666E+00 0.731623263861E+00 0.715089772221E+00 0.691647876741E+00
|
|
0.661283723715E+00 0.624048564739E+00 0.580059229972E+00 0.529497916176E+00 0.472611342565E+00
|
|
0.409709322115E+00 0.341162787349E+00 0.267401300958E+00 0.188910076075E+00 0.106226531240E+00
|
|
0.199364124142E-01 -0.693304714627E-01 -0.160904834657E+00 -0.254082740200E+00 -0.348130571884E+00
|
|
-0.442290062582E+00 -0.535783308818E+00 -0.627817737580E+00 -0.717591035725E+00 -0.804296092037E+00
|
|
-0.887126023995E+00 -0.965279357616E+00 -0.103796540099E+01 -0.110440981078E+01 -0.116386030969E+01
|
|
-0.121559248640E+01 -0.125891560086E+01 -0.129317833155E+01 -0.131777442975E+01 -0.133214818880E+01
|
|
-0.133579963571E+01 -0.132829034878E+01 -0.130924925299E+01 -0.127837855701E+01 -0.123546008237E+01
|
|
-0.118036207503E+01 -0.111304660511E+01 -0.103357764112E+01 -0.942129868761E+00 -0.838998310640E+00
|
|
-0.724608793525E+00 -0.599529300054E+00 -0.464482227923E+00 -0.320357550467E+00 -0.168226814460E+00
|
|
-0.935780797373E-02 0.154770435226E+00 0.322452863603E+00 0.491744744524E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
0.419484180390E-16 0.476766004600E-16 0.541869833861E-16 0.615863786443E-16 0.699961835367E-16
|
|
0.795543725315E-16 0.904177609244E-16 0.102764577610E-15 0.116797389175E-15 0.132746423278E-15
|
|
0.150873345858E-15 0.171475554121E-15 0.194891055755E-15 0.221504014410E-15 0.251751052437E-15
|
|
0.286128414275E-15 0.325200108034E-15 0.369607158818E-15 0.420078125633E-15 0.477441054401E-15
|
|
0.542637063198E-15 0.616735782592E-15 0.700952904412E-15 0.796670126848E-15 0.905457823120E-15
|
|
0.102910080561E-14 0.116962760819E-14 0.132934376708E-14 0.151086964641E-14 0.171718342885E-14
|
|
0.195166997684E-14 0.221817636590E-14 0.252107500124E-14 0.286533535306E-14 0.325660548760E-14
|
|
0.370130473141E-14 0.420672898928E-14 0.478117044357E-14 0.543405359892E-14 0.617608990424E-14
|
|
0.701945348871E-14 0.797798089520E-14 0.906739808776E-14 0.103055784577E-13 0.117128360611E-13
|
|
0.133122588991E-13 0.151300877077E-13 0.171961464739E-13 0.195443317384E-13 0.222131687153E-13
|
|
0.252464433513E-13 0.286939206935E-13 0.326121613541E-13 0.370654494640E-13 0.421268473424E-13
|
|
0.478793941842E-13 0.544174684314E-13 0.618483361804E-13 0.702939110289E-13 0.798927542352E-13
|
|
0.908023480040E-13 0.103201679197E-12 0.117294175856E-12 0.133311044716E-12 0.151515064466E-12
|
|
0.172204896992E-12 0.195719987325E-12 0.222446132704E-12 0.252821812091E-12 0.287345380021E-12
|
|
0.326583242771E-12 0.371179151022E-12 0.421864761450E-12 0.479471640540E-12 0.544944907538E-12
|
|
0.619358740402E-12 0.703933999115E-12 0.800058255521E-12 0.909308558273E-12 0.103347730640E-11
|
|
0.117460165598E-11 0.133499694236E-11 0.151729466623E-11 0.172448566688E-11 0.195996919074E-11
|
|
0.222760866044E-11 0.253179505925E-11 0.287751897072E-11 0.327045245562E-11 0.371704210924E-11
|
|
0.422461482592E-11 0.480149800589E-11 0.545715617665E-11 0.620234627016E-11 0.704929410349E-11
|
|
0.801189495817E-11 0.910594154895E-11 0.103493831221E-10 0.117626199338E-10 0.133688379402E-10
|
|
0.151943891895E-10 0.172692241574E-10 0.196273831177E-10 0.223075546108E-10 0.253537101705E-10
|
|
0.288158257240E-10 0.327507014990E-10 0.372228938886E-10 0.423057745633E-10 0.480827342041E-10
|
|
0.546485506050E-10 0.621109435884E-10 0.705923422438E-10 0.802318934802E-10 0.911877448439E-10
|
|
0.103639639051E-09 0.117791862796E-09 0.133876598220E-09 0.152157732004E-09 0.172935184587E-09
|
|
0.196549830522E-09 0.223389090693E-09 0.253893288114E-09 0.288562871591E-09 0.327966625731E-09
|
|
0.372751001982E-09 0.423650723762E-09 0.481500839647E-09 0.547250422324E-09 0.621978138018E-09
|
|
0.706909941785E-09 0.803439188909E-09 0.913149492300E-09 0.103784070079E-08 0.117955842442E-08
|
|
0.134062759104E-08 0.152369058446E-08 0.173175058988E-08 0.196822085724E-08 0.223698069064E-08
|
|
0.254243908197E-08 0.288960703225E-08 0.328417974684E-08 0.373263005225E-08 0.424231456650E-08
|
|
0.482159436399E-08 0.547997211332E-08 0.622824793672E-08 0.707869654642E-08 0.804526856225E-08
|
|
0.914381931079E-08 0.103923688569E-07 0.118113975303E-07 0.134241817913E-07 0.152571759408E-07
|
|
0.173404459305E-07 0.197081623834E-07 0.223991609029E-07 0.254575788529E-07 0.289335790417E-07
|
|
0.328841721665E-07 0.373741514909E-07 0.424771550669E-07 0.482768728980E-07 0.548684188126E-07
|
|
0.623598895130E-07 0.708741363233E-07 0.805507786436E-07 0.915484920630E-07 0.104047608581E-06
|
|
0.118253071480E-06 0.134397793195E-06 0.152746471100E-06 0.173599923612E-06 0.197300017518E-06
|
|
0.224235267049E-06 0.254847196221E-06 0.289637568382E-06 0.329176601051E-06 0.374112300187E-06
|
|
0.425181066248E-06 0.483219745127E-06 0.549179320526E-06 0.624140471043E-06 0.709331245539E-06
|
|
0.806147144757E-06 0.916173936219E-06 0.104121357373E-05 0.118331364320E-05 0.134480081343E-05
|
|
0.152831883555E-05 0.173687170806E-05 0.197387270794E-05 0.224320008293E-05 0.254926030741E-05
|
|
0.289705992579E-05 0.329228714570E-05 0.374140449923E-05 0.425175406843E-05 0.483167697151E-05
|
|
0.549064903471E-05 0.623943483206E-05 0.709026256820E-05 0.805702260965E-05 0.915549284506E-05
|
|
0.104035944786E-04 0.118216823405E-04 0.134328743413E-04 0.152634253100E-04 0.173431511487E-04
|
|
0.197059100223E-04 0.223901481832E-04 0.254395190328E-04 0.289035851470E-04 0.328386142648E-04
|
|
0.373084816712E-04 0.423856930196E-04 0.481525434558E-04 0.547024309497E-04 0.621413440360E-04
|
|
0.705895467498E-04 0.801834864321E-04 0.910779533329E-04 0.103448524569E-03 0.117494329063E-03
|
|
0.133441174637E-03 0.151545083487E-03 0.172096287940E-03 0.195423744646E-03 0.221900232351E-03
|
|
0.251948106118E-03 0.286045789405E-03 0.324735094835E-03 0.368629474858E-03 0.418423314873E-03
|
|
0.474902393806E-03 0.538955650656E-03 0.611588410194E-03 0.693937236819E-03 0.787286602510E-03
|
|
0.893087572889E-03 0.101297873448E-02 0.114880960617E-02 0.130266679863E-02 0.147690320614E-02
|
|
0.167417053672E-02 0.189745550635E-02 0.215012004264E-02 0.243594585991E-02 0.275918378163E-02
|
|
0.312460819484E-02 0.353757702349E-02 0.400409760162E-02 0.453089880904E-02 0.512550980010E-02
|
|
0.579634560494E-02 0.655279980853E-02 0.740534440960E-02 0.836563682380E-02 0.944663381406E-02
|
|
0.106627118991E-01 0.120297934971E-01 0.135654776947E-01 0.152891740812E-01 0.172222375340E-01
|
|
0.193881011811E-01 0.218124039677E-01 0.245231083164E-01 0.275506022698E-01 0.309277792237E-01
|
|
0.346900869006E-01 0.388755355495E-01 0.435246535094E-01 0.486803762375E-01 0.543878527091E-01
|
|
0.606941507858E-01 0.676478407967E-01 0.752984342756E-01 0.836956527009E-01 0.928884993756E-01
|
|
0.102924106522E+00 0.113846329578E+00 0.125694061966E+00 0.138499246770E+00 0.152284567388E+00
|
|
0.167060808019E+00 0.182823887545E+00 0.199551587881E+00 0.217200020927E+00 0.235699907772E+00
|
|
0.254952780344E+00 0.274827259616E+00 0.295155615567E+00 0.315730871453E+00 0.336304776415E+00
|
|
0.356587032633E+00 0.376246220473E+00 0.394912909718E+00 0.412185466241E+00 0.427639047667E+00
|
|
0.440838211964E+00 0.451353419856E+00 0.458781474601E+00 0.462769590510E+00 0.463042298258E+00
|
|
0.459429773495E+00 0.451895424541E+00 0.440559729629E+00 0.425716444591E+00 0.407836525840E+00
|
|
0.387554605530E+00 0.365632853161E+00 0.342897855247E+00 0.320148074722E+00 0.298032839894E+00
|
|
0.276909548793E+00 0.256814034866E+00 0.237734029319E+00 0.219659273915E+00 0.202574600225E+00
|
|
0.186460480632E+00 0.171293626443E+00 0.157047607432E+00 0.143693464906E+00 0.131200293376E+00
|
|
0.119535771991E+00 0.108666623184E+00 0.985590255296E-01 0.891789202978E-01 0.804922949344E-01
|
|
0.724653721938E-01 0.650647586288E-01 0.582575967559E-01 0.520116542056E-01 0.462953563467E-01
|
|
0.410778527057E-01 0.363290544950E-01 0.320196641359E-01 0.281211998142E-01 0.246060173768E-01
|
|
0.214473313062E-01 0.186192359949E-01 0.160967281283E-01 0.138557306070E-01 0.118731180639E-01
|
|
0.101267437034E-01 0.859546686842E-02 0.725918047281E-02 0.609883717509E-02 0.509647298272E-02
|
|
0.423522697725E-02 0.349935576416E-02 0.287424136792E-02 0.234639147710E-02 0.190343120219E-02
|
|
0.153408583191E-02 0.122815444890E-02 0.976474543924E-03 0.770878248072E-03
|
|
ae wavefunction
|
|
0.121280627466E-11 0.136757938381E-11 0.154057761746E-11 0.173411180111E-11 0.195076861039E-11
|
|
0.219344547617E-11 0.246538971684E-11 0.277024243268E-11 0.311208776415E-11 0.349550819050E-11
|
|
0.392564662883E-11 0.440827618806E-11 0.494987853901E-11 0.555773198158E-11 0.624001042527E-11
|
|
0.700589465169E-11 0.786569739949E-11 0.883100400544E-11 0.991483055375E-11 0.111318017312E-10
|
|
0.124983508631E-10 0.140329449163E-10 0.157563376092E-10 0.176918541640E-10 0.198657116837E-10
|
|
0.223073796416E-10 0.250499855406E-10 0.281307714368E-10 0.315916077512E-10 0.354795716037E-10
|
|
0.398475978273E-10 0.447552118557E-10 0.502693548508E-10 0.564653127565E-10 0.634277624558E-10
|
|
0.712519498904E-10 0.800450169024E-10 0.899274956953E-10 0.101034992237E-09 0.113520082649E-09
|
|
0.127554449715E-09 0.143331290117E-09 0.161068026932E-09 0.181009366367E-09 0.203430742706E-09
|
|
0.228642201107E-09 0.256992774268E-09 0.288875416198E-09 0.324732564474E-09 0.365062411569E-09
|
|
0.410425976224E-09 0.461455077590E-09 0.518861328136E-09 0.583446276270E-09 0.656112846614E-09
|
|
0.737878244943E-09 0.829888516457E-09 0.933434970460E-09 0.104997271212E-08 0.118114155318E-08
|
|
0.132878960873E-08 0.149499992692E-08 0.168212054364E-08 0.189279840487E-08 0.213001765697E-08
|
|
0.239714287019E-08 0.269796783387E-08 0.303677064503E-08 0.341837590548E-08 0.384822494883E-08
|
|
0.433245513803E-08 0.487798940995E-08 0.549263739564E-08 0.618520961825E-08 0.696564646533E-08
|
|
0.784516385285E-08 0.883641774740E-08 0.995368999453E-08 0.112130982190E-07 0.126328329219E-07
|
|
0.142334253055E-07 0.160380498153E-07 0.180728659042E-07 0.203674041123E-07 0.229550022118E-07
|
|
0.258732979137E-07 0.291647854753E-07 0.328774444949E-07 0.370654502554E-07 0.417899761872E-07
|
|
0.471201003862E-07 0.531338296656E-07 0.599192563587E-07 0.675758650505E-07 0.762160086305E-07
|
|
0.859665755536E-07 0.969708730098E-07 0.109390753876E-06 0.123409018902E-06 0.139232129601E-06
|
|
0.157093271884E-06 0.177255815546E-06 0.200017220535E-06 0.225713447361E-06 0.254723936356E-06
|
|
0.287477228691E-06 0.324457311311E-06 0.366210778374E-06 0.413354913462E-06 0.466586810011E-06
|
|
0.526693662198E-06 0.594564375148E-06 0.671202661993E-06 0.757741816301E-06 0.855461371930E-06
|
|
0.965805888777E-06 0.109040613256E-05 0.123110294994E-05 0.138997417769E-05 0.156936496612E-05
|
|
0.177192194403E-05 0.200063170448E-05 0.225886414954E-05 0.255042129739E-05 0.287959222853E-05
|
|
0.325121492973E-05 0.367074588537E-05 0.414433836813E-05 0.467893049452E-05 0.528234423731E-05
|
|
0.596339672835E-05 0.673202534237E-05 0.759942822679E-05 0.857822213751E-05 0.968261965571E-05
|
|
0.109286281010E-04 0.123342727212E-04 0.139198470335E-04 0.157081935180E-04 0.177250182239E-04
|
|
0.199992432476E-04 0.225634014810E-04 0.254540785107E-04 0.287124070868E-04 0.323846201598E-04
|
|
0.365226691349E-04 0.411849146951E-04 0.464368983211E-04 0.523522034830E-04 0.590134164032E-04
|
|
0.665131972987E-04 0.749554741107E-04 0.844567719210E-04 0.951476925511E-04 0.107174560238E-03
|
|
0.120701250798E-03 0.135911223315E-03 0.153009775141E-03 0.172226542893E-03 0.193818274091E-03
|
|
0.218071896290E-03 0.245307912756E-03 0.275884156189E-03 0.310199934498E-03 0.348700605300E-03
|
|
0.391882618567E-03 0.440299069704E-03 0.494565808333E-03 0.555368151017E-03 0.623468249246E-03
|
|
0.699713167081E-03 0.785043725819E-03 0.880504176065E-03 0.987252760332E-03 0.110657323196E-02
|
|
0.123988739845E-02 0.138876875929E-02 0.155495730991E-02 0.174037558436E-02 0.194714600968E-02
|
|
0.217760964423E-02 0.243434637111E-02 0.272019661502E-02 0.303828464705E-02 0.339204353657E-02
|
|
0.378524180229E-02 0.422201180535E-02 0.470687991605E-02 0.524479847185E-02 0.584117952745E-02
|
|
0.650193037814E-02 0.723349081387E-02 0.804287203477E-02 0.893769712746E-02 0.992624296617E-02
|
|
0.110174833629E-01 0.122211332460E-01 0.135476935977E-01 0.150084968269E-01 0.166157521948E-01
|
|
0.183825908482E-01 0.203231099499E-01 0.224524153233E-01 0.247866619571E-01 0.273430916435E-01
|
|
0.301400669444E-01 0.331971006099E-01 0.365348794981E-01 0.401752819745E-01 0.441413877023E-01
|
|
0.484574786708E-01 0.531490302482E-01 0.582426909885E-01 0.637662498697E-01 0.697485895918E-01
|
|
0.762196245219E-01 0.832102218401E-01 0.907521044299E-01 0.988777340662E-01 0.107620173514E+00
|
|
0.117012926259E+00 0.127089752762E+00 0.137884462380E+00 0.149430680377E+00 0.161761589774E+00
|
|
0.174909648091E+00 0.188906279289E+00 0.203781541374E+00 0.219563770227E+00 0.236279200182E+00
|
|
0.253951561845E+00 0.272601657633E+00 0.292246915520E+00 0.312900921741E+00 0.334572933580E+00
|
|
0.357267374138E+00 0.380983311982E+00 0.405713930022E+00 0.431445989719E+00 0.458159298874E+00
|
|
0.485826193588E+00 0.514411047475E+00 0.543869823561E+00 0.574149686299E+00 0.605188692319E+00
|
|
0.636915578624E+00 0.669249665407E+00 0.702100887222E+00 0.735369960700E+00 0.768948689463E+00
|
|
0.802720398275E+00 0.836560480167E+00 0.870337034941E+00 0.903911578091E+00 0.937139808544E+00
|
|
0.969872441981E+00 0.100195613991E+01 0.103323458355E+01 0.106354974732E+01 0.109274340706E+01
|
|
0.112065888357E+01 0.114714297586E+01 0.117204800095E+01 0.119523383490E+01 0.121656984713E+01
|
|
0.123593663287E+01 0.125322747132E+01 0.126834946411E+01 0.128122433597E+01 0.129178890445E+01
|
|
0.129999524644E+01 0.130581060472E+01 0.130921708730E+01 0.131021121580E+01 0.130880337630E+01
|
|
0.130501721758E+01 0.129888902903E+01 0.129046711468E+01 0.127981116308E+01 0.126699159755E+01
|
|
0.125208887973E+01 0.123519273434E+01 0.121640126643E+01 0.119581995454E+01 0.117356052444E+01
|
|
0.114973973398E+01 0.112447812504E+01 0.109789881589E+01 0.107012640937E+01 0.104128607687E+01
|
|
0.101150284672E+01 0.980901088061E+00 0.949604147364E+00 0.917734074727E+00 0.885411372980E+00
|
|
0.852754714736E+00 0.819880592265E+00 0.786902888228E+00 0.753932375438E+00 0.721076123156E+00
|
|
0.688436728424E+00 0.656111983527E+00 0.624194380449E+00 0.592770675049E+00 0.561921515056E+00
|
|
0.531721149738E+00 0.502237216883E+00 0.473530599794E+00 0.445655343521E+00 0.418658618674E+00
|
|
0.392580722706E+00 0.367455111849E+00 0.343308461619E+00 0.320160759127E+00 0.298025435270E+00
|
|
0.276909548793E+00 0.256814034866E+00 0.237734029319E+00 0.219659273915E+00 0.202574600225E+00
|
|
0.186460480632E+00 0.171293626443E+00 0.157047607432E+00 0.143693464906E+00 0.131200293376E+00
|
|
0.119535771991E+00 0.108666623184E+00 0.985590255296E-01 0.891789202978E-01 0.804922949344E-01
|
|
0.724653721938E-01 0.650647586288E-01 0.582575967559E-01 0.520116542056E-01 0.462953563467E-01
|
|
0.410778527057E-01 0.363290544950E-01 0.320196641359E-01 0.281211998142E-01 0.246060173768E-01
|
|
0.214473313062E-01 0.186192359949E-01 0.160967281283E-01 0.138557306070E-01 0.118731180639E-01
|
|
0.101267437034E-01 0.859546686842E-02 0.725918047281E-02 0.609883717509E-02 0.509647298272E-02
|
|
0.423522697725E-02 0.349935576416E-02 0.287424136792E-02 0.234639147710E-02 0.190343120219E-02
|
|
0.153408583191E-02 0.122815444890E-02 0.976474543924E-03 0.770878248072E-03
|
|
pseudo wavefunction
|
|
0.419854444803E-16 0.477186829731E-16 0.542348123930E-16 0.616407388458E-16 0.700579667871E-16
|
|
0.796245924705E-16 0.904975696072E-16 0.102855284409E-15 0.116900482259E-15 0.132863594033E-15
|
|
0.151006516632E-15 0.171626909765E-15 0.195063079467E-15 0.221699528478E-15 0.251973264539E-15
|
|
0.286380970109E-15 0.325487151127E-15 0.369933398510E-15 0.420448914337E-15 0.477862475420E-15
|
|
0.543116030526E-15 0.617280154352E-15 0.701571611776E-15 0.797373320569E-15 0.906257040063E-15
|
|
0.103000915804E-14 0.117065999888E-14 0.133051713384E-14 0.151220323994E-14 0.171869912861E-14
|
|
0.195339264997E-14 0.222013427526E-14 0.252330026904E-14 0.286786448791E-14 0.325947998347E-14
|
|
0.370457174840E-14 0.421044212733E-14 0.478539062187E-14 0.543885005538E-14 0.618154133138E-14
|
|
0.702564932479E-14 0.798502279153E-14 0.907540157646E-14 0.103146748471E-13 0.117231745903E-13
|
|
0.133240091859E-13 0.151434425321E-13 0.172113249404E-13 0.195615828709E-13 0.222327755429E-13
|
|
0.252687275514E-13 0.287192478696E-13 0.326409470340E-13 0.370981659172E-13 0.421640313284E-13
|
|
0.479216557586E-13 0.544655009547E-13 0.619029276940E-13 0.703559571837E-13 0.799632729860E-13
|
|
0.908824963109E-13 0.103292772007E-12 0.117397707675E-12 0.133428714131E-12 0.151648802013E-12
|
|
0.172356896825E-12 0.195892743221E-12 0.222642478969E-12 0.253044970070E-12 0.287599010942E-12
|
|
0.326871507816E-12 0.371506779597E-12 0.422237128781E-12 0.479894855855E-12 0.545425914305E-12
|
|
0.619905430245E-12 0.704555341290E-12 0.800764444068E-12 0.910111179267E-12 0.103438952804E-11
|
|
0.117563844464E-11 0.133617530812E-11 0.151863394198E-11 0.172600782549E-11 0.196169920556E-11
|
|
0.222957491506E-11 0.253402981315E-11 0.288005888856E-11 0.327333920878E-11 0.372032305953E-11
|
|
0.422834380263E-11 0.480573618898E-11 0.546197310049E-11 0.620782096442E-11 0.705551638975E-11
|
|
0.801896692365E-11 0.911397922145E-11 0.103585183737E-10 0.117730026445E-10 0.133806384570E-10
|
|
0.152078011215E-10 0.172844675523E-10 0.196447080721E-10 0.223272453738E-10 0.253760898077E-10
|
|
0.288412614180E-10 0.327796105741E-10 0.372557506582E-10 0.423431181126E-10 0.481251772352E-10
|
|
0.546967894902E-10 0.621657697968E-10 0.706546553277E-10 0.803027158356E-10 0.912682384866E-10
|
|
0.103731124684E-09 0.117895841481E-09 0.133994776009E-09 0.152292047932E-09 0.173087842495E-09
|
|
0.196723335218E-09 0.223586289058E-09 0.254117415818E-09 0.288817606193E-09 0.328256147031E-09
|
|
0.373080060616E-09 0.424024719165E-09 0.481925908667E-09 0.547733539941E-09 0.622527231820E-09
|
|
0.707534022082E-09 0.804148496620E-09 0.913955667046E-09 0.103875697195E-08 0.118059982828E-08
|
|
0.134181121761E-08 0.152503585807E-08 0.173327958797E-08 0.196995867289E-08 0.223895584451E-08
|
|
0.254468399054E-08 0.289215854014E-08 0.328707973175E-08 0.373592611265E-08 0.424606080334E-08
|
|
0.482585226915E-08 0.548481157960E-08 0.623374840584E-08 0.708494831400E-08 0.805237426117E-08
|
|
0.915189559741E-08 0.104015483278E-07 0.118218309013E-07 0.134360403741E-07 0.152706544590E-07
|
|
0.173557657204E-07 0.197255750326E-07 0.224189523873E-07 0.254800742394E-07 0.289591478347E-07
|
|
0.329132343862E-07 0.374071845839E-07 0.425147017631E-07 0.483195501435E-07 0.549169279264E-07
|
|
0.624150277350E-07 0.709368099455E-07 0.806220179406E-07 0.916294682702E-07 0.104139653201E-06
|
|
0.118357698238E-06 0.134516723006E-06 0.152881660466E-06 0.173753596915E-06 0.197474703752E-06
|
|
0.224433841596E-06 0.255072928379E-06 0.289894175419E-06 0.329468309705E-06 0.374443916628E-06
|
|
0.425558055681E-06 0.483648322365E-06 0.549666553048E-06 0.624694396284E-06 0.709961004364E-06
|
|
0.806863133390E-06 0.916987979171E-06 0.104213912067E-05 0.118436599309E-05 0.134599736974E-05
|
|
0.152967939688E-05 0.173841879914E-05 0.197563195667E-05 0.224520064992E-05 0.255153537534E-05
|
|
0.289964725717E-05 0.329522971846E-05 0.374475123140E-05 0.425556064429E-05 0.483600678383E-05
|
|
0.549557425938E-05 0.624503765426E-05 0.709663658154E-05 0.806427441323E-05 0.916374386690E-05
|
|
0.104129830580E-04 0.118323661070E-04 0.134450329330E-04 0.152772634807E-04 0.173589023211E-04
|
|
0.197238403522E-04 0.224105612098E-04 0.254627610024E-04 0.289300511097E-04 0.328687550587E-04
|
|
0.373428119279E-04 0.424248003440E-04 0.481970989579E-04 0.547532013326E-04 0.621992054789E-04
|
|
0.706555008589E-04 0.802586785805E-04 0.911636937564E-04 0.103546312649E-03 0.117605881293E-03
|
|
0.133568456854E-03 0.151690348041E-03 0.172262116587E-03 0.195613098079E-03 0.222116507436E-03
|
|
0.252195202083E-03 0.286328184431E-03 0.325057934757E-03 0.368998675959E-03 0.418845683099E-03
|
|
0.475385763128E-03 0.539509043777E-03 0.612222225338E-03 0.694663465005E-03 0.788119080451E-03
|
|
0.894042277587E-03 0.101407412661E-02 0.115006703063E-02 0.130411095199E-02 0.147856268270E-02
|
|
0.167607846647E-02 0.189965030105E-02 0.215264626851E-02 0.243885525906E-02 0.276253646808E-02
|
|
0.312847405533E-02 0.354203735894E-02 0.400924705078E-02 0.453684760344E-02 0.513238640751E-02
|
|
0.580429982854E-02 0.656200641991E-02 0.741600740716E-02 0.837799442283E-02 0.946096429226E-02
|
|
0.106793404410E-01 0.120491002035E-01 0.135879069486E-01 0.153152454908E-01 0.172525587058E-01
|
|
0.194233826115E-01 0.218534763812E-01 0.245709428225E-01 0.276063337548E-01 0.309927334452E-01
|
|
0.347658118004E-01 0.389638373516E-01 0.436276382202E-01 0.488004972063E-01 0.545279649426E-01
|
|
0.608575727333E-01 0.678384243201E-01 0.755206434958E-01 0.839546523434E-01 0.931902531241E-01
|
|
0.103275485714E+00 0.114255232315E+00 0.126169542361E+00 0.139051653582E+00 0.152925690705E+00
|
|
0.167804031875E+00 0.183684345485E+00 0.200546317379E+00 0.218348111346E+00 0.237022635218E+00
|
|
0.256473721327E+00 0.276572374054E+00 0.297153288461E+00 0.318011901726E+00 0.338902301249E+00
|
|
0.359536376489E+00 0.379584660343E+00 0.398679352476E+00 0.416420040891E+00 0.432382625382E+00
|
|
0.446131880509E+00 0.457237956607E+00 0.465296883634E+00 0.469954793230E+00 0.470935091704E+00
|
|
0.468067192149E+00 0.461314654584E+00 0.450799720888E+00 0.436820334036E+00 0.419854913631E+00
|
|
0.400549594612E+00 0.379682560084E+00 0.358100810239E+00 0.336626547810E+00 0.315933667784E+00
|
|
0.296400632493E+00 0.278080365777E+00 0.260984001463E+00 0.245128876917E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
0.121533082105E-11 0.137042610140E-11 0.154378444316E-11 0.173772148200E-11 0.195482927790E-11
|
|
0.219801129292E-11 0.247052160498E-11 0.277600889356E-11 0.311856580055E-11 0.350278434396E-11
|
|
0.393381814622E-11 0.441745233339E-11 0.496018206835E-11 0.556930080130E-11 0.625299945628E-11
|
|
0.702047792536E-11 0.788207041386E-11 0.884938637425E-11 0.993546898464E-11 0.111549733741E-10
|
|
0.125243670750E-10 0.140621554946E-10 0.157891355515E-10 0.177286810210E-10 0.199070635787E-10
|
|
0.223538140409E-10 0.251021288675E-10 0.281893276364E-10 0.316573679250E-10 0.355534248473E-10
|
|
0.399305434239E-10 0.448483729946E-10 0.503739940640E-10 0.565828492888E-10 0.635597918127E-10
|
|
0.714002658383E-10 0.802116362306E-10 0.901146860892E-10 0.101245303655E-09 0.113756382646E-09
|
|
0.127819963217E-09 0.143629644201E-09 0.161403301255E-09 0.181386149958E-09 0.203854197931E-09
|
|
0.229118135709E-09 0.257527722527E-09 0.289476730352E-09 0.325408517726E-09 0.365822314141E-09
|
|
0.411280306135E-09 0.462415628034E-09 0.519941373573E-09 0.584660759638E-09 0.657478590345E-09
|
|
0.739414188850E-09 0.831615985922E-09 0.935377978808E-09 0.105215830157E-08 0.118360017934E-08
|
|
0.133155557415E-08 0.149811187017E-08 0.168562199088E-08 0.189673839204E-08 0.213445143171E-08
|
|
0.240213268371E-08 0.270358383438E-08 0.304309188589E-08 0.342549148277E-08 0.385623528510E-08
|
|
0.434147343116E-08 0.488814326834E-08 0.550407068395E-08 0.619808454081E-08 0.698014591803E-08
|
|
0.786149407820E-08 0.885481133214E-08 0.997440925397E-08 0.112364390183E-07 0.126591289909E-07
|
|
0.142630531113E-07 0.160714340637E-07 0.181104857539E-07 0.204098001916E-07 0.230027845437E-07
|
|
0.259271548667E-07 0.292254938724E-07 0.329458810316E-07 0.371426043970E-07 0.418769647352E-07
|
|
0.472181839329E-07 0.532444311797E-07 0.600439821789E-07 0.677165285994E-07 0.763746572010E-07
|
|
0.861455205654E-07 0.971727241865E-07 0.109618457849E-06 0.123665902816E-06 0.139521950364E-06
|
|
0.157420271796E-06 0.177624785133E-06 0.200433569506E-06 0.226183284751E-06 0.255254161035E-06
|
|
0.288075631567E-06 0.325132690749E-06 0.366973070517E-06 0.414215339377E-06 0.467558041821E-06
|
|
0.527790010633E-06 0.595802001268E-06 0.672599816170E-06 0.759319107954E-06 0.857242073938E-06
|
|
0.967816280999E-06 0.109267588944E-05 0.123366557781E-05 0.139286750810E-05 0.157263171228E-05
|
|
0.177561032835E-05 0.200479616628E-05 0.226356614294E-05 0.255573019081E-05 0.288558631859E-05
|
|
0.325798258384E-05 0.367838682925E-05 0.415296513629E-05 0.468867006399E-05 0.529333986755E-05
|
|
0.597581003285E-05 0.674603862059E-05 0.761524708872E-05 0.859607845674E-05 0.970277489148E-05
|
|
0.109513770343E-04 0.123599476554E-04 0.139488225165E-04 0.157408916482E-04 0.177619146117E-04
|
|
0.200408737102E-04 0.226103695592E-04 0.255070639060E-04 0.287721751273E-04 0.324520324182E-04
|
|
0.365986953331E-04 0.412706460473E-04 0.465335624832E-04 0.524611812953E-04 0.591362606331E-04
|
|
0.666516536140E-04 0.751115045383E-04 0.846325810742E-04 0.953457569372E-04 0.107397660993E-03
|
|
0.120952510230E-03 0.136194145678E-03 0.153328292108E-03 0.172585064230E-03 0.194221744112E-03
|
|
0.218525856699E-03 0.245818572560E-03 0.276458469433E-03 0.310845686637E-03 0.349426509093E-03
|
|
0.392698420480E-03 0.441215667885E-03 0.495595383307E-03 0.556524310370E-03 0.624766187669E-03
|
|
0.701169843233E-03 0.786678057637E-03 0.882337256223E-03 0.989308093726E-03 0.110887699720E-02
|
|
0.124246873552E-02 0.139166008561E-02 0.155819466733E-02 0.174399901959E-02 0.195119999090E-02
|
|
0.218214351685E-02 0.243941485568E-02 0.272586035045E-02 0.304461078253E-02 0.339910637558E-02
|
|
0.379312350237E-02 0.423080313719E-02 0.471668108570E-02 0.525572000977E-02 0.585334324828E-02
|
|
0.651547041489E-02 0.724855473022E-02 0.805962201906E-02 0.895631127164E-02 0.994691663299E-02
|
|
0.110404306438E-01 0.122465885125E-01 0.135759131474E-01 0.150397606255E-01 0.166503657150E-01
|
|
0.184208870043E-01 0.203654511269E-01 0.224991954970E-01 0.248383089033E-01 0.274000692278E-01
|
|
0.302028774883E-01 0.332662873230E-01 0.366110289654E-01 0.402590266871E-01 0.442334086160E-01
|
|
0.485585077758E-01 0.532598531293E-01 0.583641493554E-01 0.638992440313E-01 0.698940808485E-01
|
|
0.763786374441E-01 0.833838464021E-01 0.909414979617E-01 0.990841229864E-01 0.107844854802E+00
|
|
0.117257268621E+00 0.127355197453E+00 0.138172523624E+00 0.149742945345E+00 0.162099718074E+00
|
|
0.175275370714E+00 0.189301396973E+00 0.204207922341E+00 0.220023347241E+00 0.236773966898E+00
|
|
0.254483568402E+00 0.273173005455E+00 0.292859751288E+00 0.313557430496E+00 0.335275330932E+00
|
|
0.358017897552E+00 0.381784211113E+00 0.406567456090E+00 0.432354383930E+00 0.459124779895E+00
|
|
0.486850944122E+00 0.515497200000E+00 0.545019445337E+00 0.575364763772E+00 0.606471115101E+00
|
|
0.638267123260E+00 0.670671979180E+00 0.703595472276E+00 0.736938158768E+00 0.770591667508E+00
|
|
0.804439135320E+00 0.838355755552E+00 0.872209418216E+00 0.905861420693E+00 0.939167237383E+00
|
|
0.971977355078E+00 0.100413820430E+01 0.103549323573E+01 0.106588419673E+01 0.109515264308E+01
|
|
0.112314168654E+01 0.114969793265E+01 0.117467352531E+01 0.119792819263E+01 0.121933118597E+01
|
|
0.123876301673E+01 0.125611691833E+01 0.127129998785E+01 0.128423398927E+01 0.129485582512E+01
|
|
0.130311770430E+01 0.130898704949E+01 0.131244619694E+01 0.131349194513E+01 0.131213500578E+01
|
|
0.130839940224E+01 0.130232184780E+01 0.129395112019E+01 0.128334743232E+01 0.127058178354E+01
|
|
0.125573526448E+01 0.123889828331E+01 0.122016968448E+01 0.119965574367E+01 0.117746904326E+01
|
|
0.115372725917E+01 0.112855191525E+01 0.110206717859E+01 0.107439877178E+01 0.104567306229E+01
|
|
0.101601635792E+01 0.985554399800E+00 0.954412010137E+00 0.922712832108E+00 0.890579094913E+00
|
|
0.858131349272E+00 0.825488138415E+00 0.792765592801E+00 0.760076957148E+00 0.727532027352E+00
|
|
0.695236415311E+00 0.663291258429E+00 0.631792770662E+00 0.600831860445E+00 0.570493820681E+00
|
|
0.540858110215E+00 0.511998223956E+00 0.483981646157E+00 0.456869878052E+00 0.430718530407E+00
|
|
0.405577473361E+00 0.381491039547E+00 0.358498281688E+00 0.336633291729E+00 0.315925594317E+00
|
|
0.296400632493E+00 0.278080365777E+00 0.260984001463E+00 0.245128876917E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|