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https://github.com/triqs/dft_tools
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![Oleg E. Peil](/assets/img/avatar_default.png)
The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2616 lines
230 KiB
Plaintext
2616 lines
230 KiB
Plaintext
PAW_PBE V_pv 07Sep2000
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11.0000000000000
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parameters from PSCTR are:
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VRHFIN =V: p6 d4 s1
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LEXCH = PE
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EATOM = 1321.6206 eV, 97.1364 Ry
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TITEL = PAW_PBE V_pv 07Sep2000
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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 = 1.700 partial core radius
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POMASS = 50.941; ZVAL = 11.000 mass and valenz
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RCORE = 2.300 outmost cutoff radius
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RWIGS = 2.300; RWIGS = 1.217 wigner-seitz radius (au A)
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ENMAX = 263.673; ENMIN = 197.755 eV
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RCLOC = 1.779 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 = 598.473
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DEXC = 0.000
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RMAX = 2.359 core radius for proj-oper
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RAUG = 1.300 factor for augmentation sphere
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RDEP = 2.430 radius for radial grids
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RDEPT = 1.700 core radius for aug-charge
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Atomic configuration
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8 entries
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n l j E occ.
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1 0 0.50 -5360.7193 2.0000
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2 0 0.50 -598.4546 2.0000
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2 1 1.50 -499.0155 6.0000
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3 0 0.50 -66.5711 2.0000
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3 1 1.50 -40.5282 6.0000
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3 2 2.50 -2.4291 4.0000
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4 0 0.50 -3.8743 1.0000
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4 3 2.50 -1.3606 0.0000
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Description
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l E TYP RCUT TYP RCUT
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1 -40.5282431 23 2.000
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1 5.4423304 23 2.000
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2 -2.4290905 23 2.300
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2 -1.0472488 23 2.300
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0 -3.8742754 23 2.300
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0 27.2116520 23 2.300
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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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203. 201. 199. 197. 195. 192. 188. 186.
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183. 178. 176. 172. 168. 163. 158. 153.
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148. 143. 138. 130. 125. 120. 112. 107.
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101. 93.7 86.2 81.3 74.2 67.4 60.9 54.8
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49.0 43.6 38.6 33.9 28.3 24.6 20.1 17.2
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13.8 10.9 8.49 6.51 4.92 3.65 2.65 1.73
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1.20 0.730 0.430 0.276 0.160 0.986E-01 0.676E-01 0.597E-01
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0.581E-01 0.572E-01 0.540E-01 0.478E-01 0.395E-01 0.306E-01 0.224E-01 0.149E-01
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0.104E-01 0.725E-02 0.581E-02 0.531E-02 0.512E-02 0.486E-02 0.429E-02 0.350E-02
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0.266E-02 0.194E-02 0.138E-02 0.111E-02 0.971E-03 0.909E-03 0.834E-03 0.730E-03
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0.586E-03 0.447E-03 0.341E-03 0.272E-03 0.240E-03 0.221E-03 0.198E-03 0.165E-03
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0.128E-03 0.991E-04 0.811E-04 0.742E-04 0.685E-04 0.591E-04 0.456E-04 0.348E-04
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0.300E-04 0.288E-04 0.257E-04 0.200E-04
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END of PSCTR-controll parameters
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local part
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81.2582175088937
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0.12520155E+03 0.12517981E+03 0.12511456E+03 0.12500592E+03 0.12485400E+03
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0.12465901E+03 0.12442117E+03 0.12414078E+03 0.12381816E+03 0.12345372E+03
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0.12304786E+03 0.12260105E+03 0.12211382E+03 0.12158669E+03 0.12102027E+03
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0.12041518E+03 0.11977208E+03 0.11909168E+03 0.11837471E+03 0.11762197E+03
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0.11683425E+03 0.11601242E+03 0.11515736E+03 0.11426998E+03 0.11335124E+03
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0.11240212E+03 0.11142363E+03 0.11041681E+03 0.10938271E+03 0.10832243E+03
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0.10723705E+03 0.10612770E+03 0.10499551E+03 0.10384164E+03 0.10266723E+03
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0.10147346E+03 0.10026151E+03 0.99032560E+02 0.97787805E+02 0.96528437E+02
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0.95255652E+02 0.93970646E+02 0.92674615E+02 0.91368748E+02 0.90054231E+02
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0.88732243E+02 0.87403952E+02 0.86070515E+02 0.84733077E+02 0.83392768E+02
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0.82050700E+02 0.80707970E+02 0.79365655E+02 0.78024809E+02 0.76686468E+02
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0.75351644E+02 0.74021324E+02 0.72696472E+02 0.71378024E+02 0.70066890E+02
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0.68763953E+02 0.67470065E+02 0.66186049E+02 0.64912699E+02 0.63650775E+02
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0.62401006E+02 0.61164089E+02 0.59940687E+02 0.58731430E+02 0.57536914E+02
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0.56357702E+02 0.55194322E+02 0.54047268E+02 0.52917001E+02 0.51803948E+02
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0.50708500E+02 0.49631019E+02 0.48571829E+02 0.47531224E+02 0.46509463E+02
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0.45506773E+02 0.44523351E+02 0.43559359E+02 0.42614931E+02 0.41690167E+02
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0.40785141E+02 0.39899895E+02 0.39034445E+02 0.38188777E+02 0.37362852E+02
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0.36556606E+02 0.35769948E+02 0.35002765E+02 0.34254919E+02 0.33526252E+02
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0.32816583E+02 0.32125712E+02 0.31453419E+02 0.30799467E+02 0.30163599E+02
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0.29545544E+02 0.28945016E+02 0.28361713E+02 0.27795321E+02 0.27245514E+02
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0.26711954E+02 0.26194294E+02 0.25692177E+02 0.25205240E+02 0.24733110E+02
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0.24275412E+02 0.23831762E+02 0.23401773E+02 0.22985057E+02 0.22581219E+02
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0.22189868E+02 0.21810607E+02 0.21443043E+02 0.21086781E+02 0.20741430E+02
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0.20406600E+02 0.20081906E+02 0.19766964E+02 0.19461396E+02 0.19164832E+02
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0.18876903E+02 0.18597249E+02 0.18325517E+02 0.18061361E+02 0.17804443E+02
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0.17554433E+02 0.17311008E+02 0.17073857E+02 0.16842677E+02 0.16617172E+02
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0.16397060E+02 0.16182067E+02 0.15971928E+02 0.15766390E+02 0.15565211E+02
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0.15368157E+02 0.15175008E+02 0.14985554E+02 0.14799592E+02 0.14616936E+02
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0.14437405E+02 0.14260832E+02 0.14087059E+02 0.13915937E+02 0.13747331E+02
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0.13581112E+02 0.13417162E+02 0.13255373E+02 0.13095646E+02 0.12937891E+02
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0.12782026E+02 0.12627979E+02 0.12475685E+02 0.12325087E+02 0.12176136E+02
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0.12028789E+02 0.11883010E+02 0.11738772E+02 0.11596049E+02 0.11454826E+02
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0.11315089E+02 0.11176831E+02 0.11040048E+02 0.10904742E+02 0.10770918E+02
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0.10638582E+02 0.10507747E+02 0.10378425E+02 0.10250632E+02 0.10124386E+02
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0.99997066E+01 0.98766131E+01 0.97551271E+01 0.96352704E+01 0.95170649E+01
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0.94005324E+01 0.92856943E+01 0.91725715E+01 0.90611838E+01 0.89515499E+01
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0.88436873E+01 0.87376117E+01 0.86333373E+01 0.85308764E+01 0.84302390E+01
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0.83314332E+01 0.82344647E+01 0.81393369E+01 0.80460505E+01 0.79546040E+01
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0.78649930E+01 0.77772104E+01 0.76912468E+01 0.76070896E+01 0.75247239E+01
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0.74441322E+01 0.73652940E+01 0.72881868E+01 0.72127853E+01 0.71390621E+01
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0.70669873E+01 0.69965291E+01 0.69276536E+01 0.68603249E+01 0.67945055E+01
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0.67301563E+01 0.66672364E+01 0.66057039E+01 0.65455155E+01 0.64866268E+01
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0.64289927E+01 0.63725673E+01 0.63173040E+01 0.62631559E+01 0.62100761E+01
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0.61580172E+01 0.61069324E+01 0.60567748E+01 0.60074983E+01 0.59590572E+01
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0.59114065E+01 0.58645023E+01 0.58183014E+01 0.57727621E+01 0.57278436E+01
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0.56835067E+01 0.56397135E+01 0.55964277E+01 0.55536147E+01 0.55112415E+01
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0.54692769E+01 0.54276917E+01 0.53864583E+01 0.53455513E+01 0.53049471E+01
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0.52646242E+01 0.52245631E+01 0.51847462E+01 0.51451578E+01 0.51057843E+01
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0.50666139E+01 0.50276369E+01 0.49888450E+01 0.49502320E+01 0.49117934E+01
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0.48735261E+01 0.48354289E+01 0.47975020E+01 0.47597468E+01 0.47221665E+01
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0.46847653E+01 0.46475485E+01 0.46105228E+01 0.45736957E+01 0.45370756E+01
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0.45006716E+01 0.44644937E+01 0.44285522E+01 0.43928580E+01 0.43574223E+01
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0.43222566E+01 0.42873725E+01 0.42527816E+01 0.42184956E+01 0.41845261E+01
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0.41508843E+01 0.41175813E+01 0.40846278E+01 0.40520339E+01 0.40198096E+01
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0.39879639E+01 0.39565055E+01 0.39254422E+01 0.38947812E+01 0.38645288E+01
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0.38346907E+01 0.38052716E+01 0.37762753E+01 0.37477048E+01 0.37195622E+01
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0.36918486E+01 0.36645645E+01 0.36377091E+01 0.36112809E+01 0.35852778E+01
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0.35596965E+01 0.35345329E+01 0.35097823E+01 0.34854391E+01 0.34614970E+01
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0.34379487E+01 0.34147867E+01 0.33920026E+01 0.33695872E+01 0.33475311E+01
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0.33258243E+01 0.33044563E+01 0.32834162E+01 0.32626929E+01 0.32422749E+01
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0.32221506E+01 0.32023081E+01 0.31827355E+01 0.31634210E+01 0.31443525E+01
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0.31255181E+01 0.31069059E+01 0.30885044E+01 0.30703020E+01 0.30522874E+01
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0.30344497E+01 0.30167780E+01 0.29992620E+01 0.29818919E+01 0.29646579E+01
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0.29475509E+01 0.29305624E+01 0.29136842E+01 0.28969085E+01 0.28802284E+01
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0.28636373E+01 0.28471290E+01 0.28306982E+01 0.28143400E+01 0.27980499E+01
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0.27818241E+01 0.27656594E+01 0.27495530E+01 0.27335029E+01 0.27175072E+01
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0.27015650E+01 0.26856756E+01 0.26698388E+01 0.26540551E+01 0.26383253E+01
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0.26226506E+01 0.26070326E+01 0.25914734E+01 0.25759753E+01 0.25605411E+01
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0.25451737E+01 0.25298763E+01 0.25146524E+01 0.24995054E+01 0.24844393E+01
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0.24694579E+01 0.24545651E+01 0.24397652E+01 0.24250622E+01 0.24104603E+01
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0.23959635E+01 0.23815761E+01 0.23673021E+01 0.23531454E+01 0.23391099E+01
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0.23251992E+01 0.23114171E+01 0.22977668E+01 0.22842514E+01 0.22708740E+01
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0.22576372E+01 0.22445435E+01 0.22315951E+01 0.22187940E+01 0.22061416E+01
|
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0.21936395E+01 0.21812887E+01 0.21690900E+01 0.21570437E+01 0.21451501E+01
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0.21334090E+01 0.21218200E+01 0.21103821E+01 0.20990944E+01 0.20879554E+01
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0.20769633E+01 0.20661163E+01 0.20554119E+01 0.20448476E+01 0.20344207E+01
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0.20241280E+01 0.20139663E+01 0.20039322E+01 0.19940220E+01 0.19842320E+01
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0.19745580E+01 0.19649961E+01 0.19555421E+01 0.19461915E+01 0.19369400E+01
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0.19277832E+01 0.19187164E+01 0.19097351E+01 0.19008348E+01 0.18920109E+01
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0.18832588E+01 0.18745740E+01 0.18659522E+01 0.18573889E+01 0.18488801E+01
|
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0.18404214E+01 0.18320091E+01 0.18236393E+01 0.18153083E+01 0.18070127E+01
|
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0.17987491E+01 0.17905146E+01 0.17823062E+01 0.17741213E+01 0.17659575E+01
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0.17578127E+01 0.17496848E+01 0.17415722E+01 0.17334736E+01 0.17253877E+01
|
|
0.17173138E+01 0.17092511E+01 0.17011994E+01 0.16931585E+01 0.16851286E+01
|
|
0.16771102E+01 0.16691038E+01 0.16611103E+01 0.16531307E+01 0.16451665E+01
|
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0.16372189E+01 0.16292898E+01 0.16213808E+01 0.16134939E+01 0.16056314E+01
|
|
0.15977954E+01 0.15899883E+01 0.15822125E+01 0.15744708E+01 0.15667657E+01
|
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0.15590998E+01 0.15514760E+01 0.15438970E+01 0.15363656E+01 0.15288844E+01
|
|
0.15214561E+01 0.15140835E+01 0.15067690E+01 0.14995152E+01 0.14923243E+01
|
|
0.14851988E+01 0.14781406E+01 0.14711518E+01 0.14642343E+01 0.14573897E+01
|
|
0.14506196E+01 0.14439252E+01 0.14373076E+01 0.14307679E+01 0.14243066E+01
|
|
0.14179244E+01 0.14116214E+01 0.14053977E+01 0.13992531E+01 0.13931873E+01
|
|
0.13871995E+01 0.13812891E+01 0.13754550E+01 0.13696959E+01 0.13640104E+01
|
|
0.13583969E+01 0.13528537E+01 0.13473788E+01 0.13419701E+01 0.13366254E+01
|
|
0.13313422E+01 0.13261181E+01 0.13209504E+01 0.13158364E+01 0.13107732E+01
|
|
0.13057580E+01 0.13007878E+01 0.12958596E+01 0.12909703E+01 0.12861171E+01
|
|
0.12812967E+01 0.12765063E+01 0.12717429E+01 0.12670036E+01 0.12622856E+01
|
|
0.12575861E+01 0.12529025E+01 0.12482323E+01 0.12435731E+01 0.12389226E+01
|
|
0.12342786E+01 0.12296393E+01 0.12250027E+01 0.12203673E+01 0.12157316E+01
|
|
0.12110943E+01 0.12064544E+01 0.12018109E+01 0.11971631E+01 0.11925106E+01
|
|
0.11878530E+01 0.11831904E+01 0.11785226E+01 0.11738500E+01 0.11691731E+01
|
|
0.11644925E+01 0.11598088E+01 0.11551231E+01 0.11504365E+01 0.11457501E+01
|
|
0.11410654E+01 0.11363838E+01 0.11317069E+01 0.11270365E+01 0.11223743E+01
|
|
0.11177222E+01 0.11130822E+01 0.11084564E+01 0.11038467E+01 0.10992553E+01
|
|
0.10946843E+01 0.10901358E+01 0.10856118E+01 0.10811144E+01 0.10766456E+01
|
|
0.10722074E+01 0.10678017E+01 0.10634302E+01 0.10590947E+01 0.10547968E+01
|
|
0.10505381E+01 0.10463199E+01 0.10421436E+01 0.10380102E+01 0.10339209E+01
|
|
0.10298766E+01 0.10258778E+01 0.10219253E+01 0.10180195E+01 0.10141606E+01
|
|
0.10103488E+01 0.10065840E+01 0.10028661E+01 0.99919467E+00 0.99556931E+00
|
|
0.99198938E+00 0.98845415E+00 0.98496273E+00 0.98151413E+00 0.97810724E+00
|
|
0.97474082E+00 0.97141356E+00 0.96812401E+00 0.96487066E+00 0.96165188E+00
|
|
0.95846601E+00 0.95531129E+00 0.95218591E+00 0.94908803E+00 0.94601577E+00
|
|
0.94296722E+00 0.93994046E+00 0.93693360E+00 0.93394473E+00 0.93097198E+00
|
|
0.92801351E+00 0.92506754E+00 0.92213231E+00 0.91920614E+00 0.91628741E+00
|
|
0.91337457E+00 0.91046617E+00 0.90756082E+00 0.90465722E+00 0.90175420E+00
|
|
0.89885067E+00 0.89594563E+00 0.89303823E+00 0.89012771E+00 0.88721342E+00
|
|
0.88429486E+00 0.88137161E+00 0.87844338E+00 0.87551001E+00 0.87257144E+00
|
|
0.86962771E+00 0.86667899E+00 0.86372553E+00 0.86076770E+00 0.85780595E+00
|
|
0.85484084E+00 0.85187300E+00 0.84890316E+00 0.84593212E+00 0.84296077E+00
|
|
0.83999006E+00 0.83702101E+00 0.83405470E+00 0.83109225E+00 0.82813483E+00
|
|
0.82518364E+00 0.82223991E+00 0.81930488E+00 0.81637979E+00 0.81346591E+00
|
|
0.81056446E+00 0.80767667E+00 0.80480373E+00 0.80194683E+00 0.79910708E+00
|
|
0.79628561E+00 0.79348344E+00 0.79070159E+00 0.78794101E+00 0.78520258E+00
|
|
0.78248713E+00 0.77979543E+00 0.77712816E+00 0.77448593E+00 0.77186928E+00
|
|
0.76927867E+00 0.76671446E+00 0.76417695E+00 0.76166634E+00 0.75918276E+00
|
|
0.75672625E+00 0.75429677E+00 0.75189420E+00 0.74951835E+00 0.74716893E+00
|
|
0.74484560E+00 0.74254795E+00 0.74027546E+00 0.73802759E+00 0.73580370E+00
|
|
0.73360309E+00 0.73142500E+00 0.72926862E+00 0.72713307E+00 0.72501744E+00
|
|
0.72292076E+00 0.72084204E+00 0.71878026E+00 0.71673436E+00 0.71470328E+00
|
|
0.71268594E+00 0.71068127E+00 0.70868818E+00 0.70670561E+00 0.70473249E+00
|
|
0.70276777E+00 0.70081043E+00 0.69885946E+00 0.69691388E+00 0.69497275E+00
|
|
0.69303515E+00 0.69110020E+00 0.68916708E+00 0.68723500E+00 0.68530323E+00
|
|
0.68337108E+00 0.68143794E+00 0.67950324E+00 0.67756648E+00 0.67562722E+00
|
|
0.67368509E+00 0.67173978E+00 0.66979104E+00 0.66783871E+00 0.66588266E+00
|
|
0.66392284E+00 0.66195928E+00 0.65999206E+00 0.65802132E+00 0.65604728E+00
|
|
0.65407020E+00 0.65209043E+00 0.65010837E+00 0.64812447E+00 0.64613923E+00
|
|
0.64415322E+00 0.64216705E+00 0.64018136E+00 0.63819685E+00 0.63621421E+00
|
|
0.63423420E+00 0.63225757E+00 0.63028510E+00 0.62831759E+00 0.62635583E+00
|
|
0.62440062E+00 0.62245276E+00 0.62051304E+00 0.61858226E+00 0.61666119E+00
|
|
0.61475060E+00 0.61285124E+00 0.61096382E+00 0.60908904E+00 0.60722758E+00
|
|
0.60538005E+00 0.60354704E+00 0.60172912E+00 0.59992676E+00 0.59814044E+00
|
|
0.59637055E+00 0.59461743E+00 0.59288138E+00 0.59116264E+00 0.58946139E+00
|
|
0.58777775E+00 0.58611179E+00 0.58446351E+00 0.58283287E+00 0.58121974E+00
|
|
0.57962395E+00 0.57804528E+00 0.57648343E+00 0.57493806E+00 0.57340875E+00
|
|
0.57189506E+00 0.57039647E+00 0.56891243E+00 0.56744236E+00 0.56598560E+00
|
|
0.56454151E+00 0.56310939E+00 0.56168851E+00 0.56027814E+00 0.55887753E+00
|
|
0.55748591E+00 0.55610251E+00 0.55472654E+00 0.55335722E+00 0.55199377E+00
|
|
0.55063542E+00 0.54928140E+00 0.54793094E+00 0.54658332E+00 0.54523780E+00
|
|
0.54389369E+00 0.54255034E+00 0.54120710E+00 0.53986337E+00 0.53851861E+00
|
|
0.53717229E+00 0.53582395E+00 0.53447317E+00 0.53311958E+00 0.53176286E+00
|
|
0.53040273E+00 0.52903899E+00 0.52767147E+00 0.52630006E+00 0.52492471E+00
|
|
0.52354542E+00 0.52216225E+00 0.52077531E+00 0.51938476E+00 0.51799082E+00
|
|
0.51659376E+00 0.51519390E+00 0.51379159E+00 0.51238725E+00 0.51098132E+00
|
|
0.50957428E+00 0.50816664E+00 0.50675893E+00 0.50535172E+00 0.50394558E+00
|
|
0.50254110E+00 0.50113891E+00 0.49973960E+00 0.49834381E+00 0.49695216E+00
|
|
0.49556527E+00 0.49418378E+00 0.49280830E+00 0.49143944E+00 0.49007779E+00
|
|
0.48872394E+00 0.48737845E+00 0.48604185E+00 0.48471465E+00 0.48339733E+00
|
|
0.48209031E+00 0.48079401E+00 0.47950879E+00 0.47823497E+00 0.47697283E+00
|
|
0.47572260E+00 0.47448448E+00 0.47325859E+00 0.47204506E+00 0.47084391E+00
|
|
0.46965517E+00 0.46847878E+00 0.46731467E+00 0.46616269E+00 0.46502266E+00
|
|
0.46389437E+00 0.46277755E+00 0.46167189E+00 0.46057705E+00 0.45949265E+00
|
|
0.45841827E+00 0.45735348E+00 0.45629782E+00 0.45525080E+00 0.45421191E+00
|
|
0.45318063E+00 0.45215643E+00 0.45113877E+00 0.45012710E+00 0.44912086E+00
|
|
0.44811950E+00 0.44712245E+00 0.44612916E+00 0.44513907E+00 0.44415165E+00
|
|
0.44316634E+00 0.44218265E+00 0.44120005E+00 0.44021806E+00 0.43923623E+00
|
|
0.43825412E+00 0.43727133E+00 0.43628748E+00 0.43530222E+00 0.43431526E+00
|
|
0.43332633E+00 0.43233518E+00 0.43134162E+00 0.43034550E+00 0.42934667E+00
|
|
0.42834507E+00 0.42734063E+00 0.42633335E+00 0.42532325E+00 0.42431039E+00
|
|
0.42329488E+00 0.42227683E+00 0.42125642E+00 0.42023384E+00 0.41920933E+00
|
|
0.41818314E+00 0.41715555E+00 0.41612687E+00 0.41509742E+00 0.41406755E+00
|
|
0.41303761E+00 0.41200798E+00 0.41097904E+00 0.40995119E+00 0.40892481E+00
|
|
0.40790033E+00 0.40687814E+00 0.40585866E+00 0.40484231E+00 0.40382949E+00
|
|
0.40282061E+00 0.40181609E+00 0.40081630E+00 0.39982163E+00 0.39883246E+00
|
|
0.39784913E+00 0.39687197E+00 0.39590129E+00 0.39493739E+00 0.39398051E+00
|
|
0.39303091E+00 0.39208878E+00 0.39115431E+00 0.39022766E+00 0.38930894E+00
|
|
0.38839826E+00 0.38749569E+00 0.38660126E+00 0.38571500E+00 0.38483689E+00
|
|
0.38396688E+00 0.38310491E+00 0.38225087E+00 0.38140465E+00 0.38056609E+00
|
|
0.37973502E+00 0.37891123E+00 0.37809451E+00 0.37728463E+00 0.37648131E+00
|
|
0.37568430E+00 0.37489330E+00 0.37410800E+00 0.37332811E+00 0.37255330E+00
|
|
0.37178322E+00 0.37101756E+00 0.37025595E+00 0.36949805E+00 0.36874351E+00
|
|
0.36799195E+00 0.36724302E+00 0.36649637E+00 0.36575164E+00 0.36500847E+00
|
|
0.36426653E+00 0.36352548E+00 0.36278502E+00 0.36204483E+00 0.36130464E+00
|
|
0.36056417E+00 0.35982317E+00 0.35908142E+00 0.35833871E+00 0.35759486E+00
|
|
0.35684968E+00 0.35610305E+00 0.35535484E+00 0.35460495E+00 0.35385329E+00
|
|
0.35309982E+00 0.35234450E+00 0.35158731E+00 0.35082828E+00 0.35006745E+00
|
|
0.34930486E+00 0.34854060E+00 0.34777477E+00 0.34700750E+00 0.34623893E+00
|
|
0.34546922E+00 0.34469855E+00 0.34392710E+00 0.34315510E+00 0.34238275E+00
|
|
0.34161029E+00 0.34083797E+00 0.34006604E+00 0.33929478E+00 0.33852445E+00
|
|
0.33775534E+00 0.33698775E+00 0.33622196E+00 0.33545827E+00 0.33469699E+00
|
|
0.33393841E+00 0.33318283E+00 0.33243052E+00 0.33168178E+00 0.33093687E+00
|
|
0.33019604E+00 0.32945953E+00 0.32872759E+00 0.32800042E+00 0.32727821E+00
|
|
0.32656116E+00 0.32584941E+00 0.32514313E+00 0.32444243E+00 0.32374742E+00
|
|
0.32305820E+00 0.32237484E+00 0.32169738E+00 0.32102586E+00 0.32036028E+00
|
|
0.31970063E+00 0.31904687E+00 0.31839896E+00 0.31775680E+00 0.31712030E+00
|
|
0.31648935E+00 0.31586380E+00 0.31524350E+00 0.31462829E+00 0.31401797E+00
|
|
0.31341234E+00 0.31281118E+00 0.31221427E+00 0.31162136E+00 0.31103219E+00
|
|
0.31044650E+00 0.30986402E+00 0.30928446E+00 0.30870753E+00 0.30813293E+00
|
|
0.30756038E+00 0.30698957E+00 0.30642021E+00 0.30585200E+00 0.30528467E+00
|
|
0.30471794E+00 0.30415154E+00 0.30358521E+00 0.30301871E+00 0.30245183E+00
|
|
gradient corrections used for XC
|
|
5
|
|
core charge-density (partial)
|
|
0.14763154E+01 0.14757976E+01 0.14742453E+01 0.14716618E+01 0.14680526E+01
|
|
0.14634253E+01 0.14577896E+01 0.14511573E+01 0.14435425E+01 0.14349609E+01
|
|
0.14254304E+01 0.14149707E+01 0.14036033E+01 0.13913513E+01 0.13782398E+01
|
|
0.13642951E+01 0.13495450E+01 0.13340188E+01 0.13177470E+01 0.13007613E+01
|
|
0.12830944E+01 0.12647798E+01 0.12458521E+01 0.12263464E+01 0.12062987E+01
|
|
0.11857451E+01 0.11647224E+01 0.11432675E+01 0.11214176E+01 0.10992099E+01
|
|
0.10766816E+01 0.10538697E+01 0.10308109E+01 0.10075418E+01 0.98409835E+00
|
|
0.96051610E+00 0.93683000E+00 0.91307431E+00 0.88928256E+00 0.86548746E+00
|
|
0.84172086E+00 0.81801369E+00 0.79439586E+00 0.77089627E+00 0.74754274E+00
|
|
0.72436199E+00 0.70137957E+00 0.67861987E+00 0.65610608E+00 0.63386016E+00
|
|
0.61190286E+00 0.59025368E+00 0.56893086E+00 0.54795144E+00 0.52733115E+00
|
|
0.50708454E+00 0.48722491E+00 0.46776435E+00 0.44871375E+00 0.43008283E+00
|
|
0.41188016E+00 0.39411316E+00 0.37678818E+00 0.35991047E+00 0.34348426E+00
|
|
0.32751277E+00 0.31199822E+00 0.29694194E+00 0.28234431E+00 0.26820489E+00
|
|
0.25452238E+00 0.24129472E+00 0.22851910E+00 0.21619199E+00 0.20430920E+00
|
|
0.19286593E+00 0.18185677E+00 0.17127578E+00 0.16111650E+00 0.15137201E+00
|
|
0.14203496E+00 0.13309758E+00 0.12455178E+00 0.11638913E+00 0.10860089E+00
|
|
0.10117810E+00 0.94111568E-01 0.87391902E-01 0.81009559E-01 0.74954866E-01
|
|
0.69218046E-01 0.63789247E-01 0.58658569E-01 0.53816089E-01 0.49251879E-01
|
|
0.44956036E-01 0.40918698E-01 0.37130063E-01 0.33580412E-01 0.30260122E-01
|
|
0.27159685E-01 0.24269721E-01 0.21580993E-01 0.19084419E-01 0.16771086E-01
|
|
0.14632257E-01 0.12659382E-01 0.10844109E-01 0.91782891E-02 0.76539824E-02
|
|
0.62634663E-02 0.49992392E-02 0.38540244E-02 0.28207741E-02 0.18926712E-02
|
|
0.10631318E-02 0.32580603E-03 -0.32542151E-03 -0.89643167E-03 -0.13928716E-02
|
|
-0.18201558E-02 -0.21834682E-02 -0.24877641E-02 -0.27377728E-02 -0.29380012E-02
|
|
-0.30927365E-02 -0.32060506E-02 -0.32818042E-02 -0.33236508E-02 -0.33350418E-02
|
|
-0.33192314E-02 -0.32792816E-02 -0.32180674E-02 -0.31382825E-02 -0.30424449E-02
|
|
-0.29329025E-02 -0.28118388E-02 -0.26812791E-02 -0.25430963E-02 -0.23990164E-02
|
|
-0.22506254E-02 -0.20993743E-02 -0.19465856E-02 -0.17934591E-02 -0.16410776E-02
|
|
-0.14904131E-02 -0.13423319E-02 -0.11976008E-02 -0.10568922E-02 -0.92079010E-03
|
|
-0.78979473E-03 -0.66432828E-03 -0.54473975E-03 -0.43130991E-03 -0.32425613E-03
|
|
-0.22373704E-03 -0.12985697E-03 -0.42670368E-04 0.37814034E-04 0.11162919E-03
|
|
0.17884586E-03 0.23956888E-03 0.29393364E-03 0.34210267E-03 0.38426240E-03
|
|
0.42062015E-03 0.45140116E-03 0.47684586E-03 0.49720732E-03 0.51274875E-03
|
|
0.52374125E-03 0.53046168E-03 0.53319067E-03 0.53221073E-03 0.52780461E-03
|
|
0.52025369E-03 0.50983653E-03 0.49682760E-03 0.48149604E-03 0.46410462E-03
|
|
0.44490878E-03 0.42415580E-03 0.40208400E-03 0.37892217E-03 0.35488900E-03
|
|
0.33019259E-03 0.30503014E-03 0.27958764E-03 0.25403965E-03 0.22854917E-03
|
|
0.20326761E-03 0.17833471E-03 0.15387867E-03 0.13001621E-03 0.10685273E-03
|
|
0.84482557E-04 0.62989141E-04 0.42445365E-04 0.22913857E-04 0.44473354E-05
|
|
-0.12911013E-04 -0.29127138E-04 -0.44175711E-04 -0.58039688E-04 -0.70709867E-04
|
|
-0.82184428E-04 -0.92468472E-04 -0.10157355E-03 -0.10951719E-03 -0.11632242E-03
|
|
-0.12201733E-03 -0.12663455E-03 -0.13021085E-03 -0.13278664E-03 -0.13440557E-03
|
|
-0.13511406E-03 -0.13496091E-03 -0.13399689E-03 -0.13227434E-03 -0.12984678E-03
|
|
-0.12676862E-03 -0.12309473E-03 -0.11888016E-03 -0.11417986E-03 -0.10904834E-03
|
|
-0.10353943E-03 -0.97706046E-04 -0.91599922E-04 -0.85271433E-04 -0.78769388E-04
|
|
-0.72140859E-04 -0.65431030E-04 -0.58683057E-04 -0.51937953E-04 -0.45234488E-04
|
|
-0.38609101E-04 -0.32095839E-04 -0.25726300E-04 -0.19529601E-04 -0.13532356E-04
|
|
-0.77586644E-05 -0.22301228E-05 0.30341616E-05 0.80175393E-05 0.12705778E-04
|
|
0.17087013E-04 0.21151686E-04 0.24892474E-04 0.28304219E-04 0.31383839E-04
|
|
0.34130238E-04 0.36544215E-04 0.38628360E-04 0.40386951E-04 0.41825847E-04
|
|
0.42952377E-04 0.43775229E-04 0.44304336E-04 0.44550761E-04 0.44526584E-04
|
|
0.44244787E-04 0.43719145E-04 0.42964107E-04 0.41994696E-04 0.40826393E-04
|
|
0.39475041E-04 0.37956738E-04 0.36287741E-04 0.34484374E-04 0.32562938E-04
|
|
0.30539623E-04 0.28430432E-04 0.26251102E-04 0.24017031E-04 0.21743217E-04
|
|
0.19444195E-04 0.17133979E-04 0.14826015E-04 0.12533132E-04 0.10267507E-04
|
|
0.80406233E-05 0.58632474E-05 0.37453996E-05 0.16963361E-05 -0.27546654E-06
|
|
-0.21623221E-05 -0.39573401E-05 -0.56544279E-05 -0.72482880E-05 -0.87344111E-05
|
|
-0.10109067E-04 -0.11369288E-04 -0.12512857E-04 -0.13538281E-04 -0.14444772E-04
|
|
-0.15232222E-04 -0.15901170E-04 -0.16452779E-04 -0.16888796E-04 -0.17211525E-04
|
|
-0.17423788E-04 -0.17528888E-04 -0.17530575E-04 -0.17433006E-04 -0.17240705E-04
|
|
-0.16958526E-04 -0.16591614E-04 -0.16145365E-04 -0.15625388E-04 -0.15037465E-04
|
|
-0.14387519E-04 -0.13681569E-04 -0.12925703E-04 -0.12126035E-04 -0.11288678E-04
|
|
-0.10419709E-04 -0.95251395E-05 -0.86108842E-05 -0.76827363E-05 -0.67463402E-05
|
|
-0.58071676E-05 -0.48704958E-05 -0.39413872E-05 -0.30246704E-05 -0.21249246E-05
|
|
-0.12464639E-05 -0.39332551E-06 0.43074138E-06 0.12222846E-05 0.19781558E-05
|
|
0.26955159E-05 0.33718382E-05 0.40049103E-05 0.45928341E-05 0.51340238E-05
|
|
0.56272033E-05 0.60714013E-05 0.64659450E-05 0.68104532E-05 0.71048273E-05
|
|
0.73492418E-05 0.75441336E-05 0.76901898E-05 0.77883357E-05 0.78397209E-05
|
|
0.78457055E-05 0.78078454E-05 0.77278770E-05 0.76077020E-05 0.74493714E-05
|
|
0.72550692E-05 0.70270966E-05 0.67678558E-05 0.64798335E-05 0.61655853E-05
|
|
0.58277194E-05 0.54688815E-05 0.50917393E-05 0.46989677E-05 0.42932348E-05
|
|
0.38771877E-05 0.34534394E-05 0.30245562E-05 0.25930460E-05 0.21613467E-05
|
|
0.17318160E-05 0.13067213E-05 0.88823142E-06 0.47840781E-06 0.79197654E-07
|
|
-0.30757274E-06 -0.68020353E-06 -0.10371261E-05 -0.13769072E-05 -0.16982516E-05
|
|
-0.20000051E-05 -0.22811553E-05 -0.25408328E-05 -0.27783111E-05 -0.29930057E-05
|
|
-0.31844724E-05 -0.33524058E-05 -0.34966357E-05 -0.36171243E-05 -0.37139618E-05
|
|
-0.37873620E-05 -0.38376575E-05 -0.38652937E-05 -0.38708233E-05 -0.38549000E-05
|
|
-0.38182717E-05 -0.37617740E-05 -0.36863226E-05 -0.35929063E-05 -0.34825795E-05
|
|
-0.33564547E-05 -0.32156945E-05 -0.30615046E-05 -0.28951255E-05 -0.27178251E-05
|
|
-0.25308916E-05 -0.23356254E-05 -0.21333324E-05 -0.19253170E-05 -0.17128748E-05
|
|
-0.14972866E-05 -0.12798117E-05 -0.10616822E-05 -0.84409711E-06 -0.62821712E-06
|
|
-0.41515965E-06 -0.20599423E-06 -0.17382607E-08 0.19664679E-06 0.38825882E-06
|
|
0.57225808E-06 0.74786978E-06 0.91438631E-06 0.10711690E-05 0.12176494E-05
|
|
0.13533304E-05 0.14777867E-05 0.15906649E-05 0.16916836E-05 0.17806325E-05
|
|
0.18573715E-05 0.19218298E-05 0.19740038E-05 0.20139556E-05 0.20418108E-05
|
|
0.20577557E-05 0.20620351E-05 0.20549490E-05 0.20368496E-05 0.20081381E-05
|
|
0.19692610E-05 0.19207070E-05 0.18630023E-05 0.17967080E-05 0.17224152E-05
|
|
0.16407415E-05 0.15523271E-05 0.14578305E-05 0.13579249E-05 0.12532941E-05
|
|
0.11446283E-05 0.10326210E-05 0.91796449E-06 0.80134682E-06 0.68344800E-06
|
|
0.56493673E-06 0.44646714E-06 0.32867580E-06 0.21217876E-06 0.97568926E-07
|
|
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|
-0.83168634E-06 -0.77493817E-06 -0.71536972E-06 -0.65336945E-06 -0.58932926E-06
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|
-0.52364232E-06 -0.45670098E-06 -0.38889475E-06 -0.32060829E-06 -0.25221953E-06
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|
-0.18409780E-06 -0.11660213E-06 -0.50079604E-07 0.15136187E-07 0.78726582E-07
|
|
0.14038916E-06 0.19983896E-06 0.25680953E-06 0.31105393E-06 0.36234556E-06
|
|
0.41047883E-06 0.45526982E-06 0.49655667E-06 0.53419994E-06 0.56808282E-06
|
|
0.59811120E-06 0.62421367E-06 0.64634131E-06 0.66446748E-06 0.67858740E-06
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|
0.68871769E-06 0.69489577E-06 0.69717922E-06 0.69564495E-06 0.69038842E-06
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0.68152266E-06 0.66917728E-06 0.65349744E-06 0.63464268E-06 0.61278581E-06
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0.58811165E-06 0.56081580E-06 0.53110339E-06 0.49918773E-06 0.46528907E-06
|
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0.42963322E-06 0.39245028E-06 0.35397332E-06 0.31443707E-06 0.27407666E-06
|
|
0.23312639E-06 0.19181849E-06 0.15038192E-06 0.10904131E-06 0.68015804E-07
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|
0.27518053E-07 -0.12246760E-07 -0.51081842E-07 -0.88799642E-07 -0.12522263E-06
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-0.16018404E-06 -0.19352846E-06 -0.22511246E-06 -0.25480505E-06 -0.28248814E-06
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|
-0.43413528E-06 -0.43342096E-06 -0.43038783E-06 -0.42510074E-06 -0.41763516E-06
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-0.40807653E-06 -0.39651960E-06 -0.38306776E-06 -0.36783231E-06 -0.35093169E-06
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|
-0.33249071E-06 -0.31263978E-06 -0.29151408E-06 -0.26925279E-06 -0.24599822E-06
|
|
-0.22189503E-06 -0.19708942E-06 -0.17172830E-06 -0.14595854E-06 -0.11992617E-06
|
|
-0.93775636E-07 -0.67649065E-07 -0.41685573E-07 -0.16020587E-07 0.92147918E-08
|
|
0.33894394E-07 0.57897546E-07 0.81109591E-07 0.10342238E-06 0.12473471E-06
|
|
0.14495270E-06 0.16399016E-06 0.18176891E-06 0.19821897E-06 0.21327882E-06
|
|
0.22689554E-06 0.23902491E-06 0.24963149E-06 0.25868861E-06 0.26617835E-06
|
|
0.27209146E-06 0.27642725E-06 0.27919338E-06 0.28040572E-06 0.28008808E-06
|
|
0.27827189E-06 0.27499595E-06 0.27030604E-06 0.26425455E-06 0.25690009E-06
|
|
0.24830704E-06 0.23854512E-06 0.22768890E-06 0.21581733E-06 0.20301322E-06
|
|
0.18936275E-06 0.17495493E-06 0.15988111E-06 0.14423440E-06 0.12810920E-06
|
|
0.11160065E-06 0.94804121E-07 0.77814694E-07 0.60726686E-07 0.43633152E-07
|
|
0.26625424E-07 0.97926598E-08 -0.67785852E-08 -0.23004767E-07 -0.38805734E-07
|
|
-0.54105092E-07 -0.68830531E-07 -0.82914132E-07 -0.96292647E-07 -0.10890774E-06
|
|
-0.12070621E-06 -0.13164016E-06 -0.14166719E-06 -0.15075047E-06 -0.15885887E-06
|
|
-0.16596699E-06 -0.17205520E-06 -0.17710968E-06 -0.18112229E-06 -0.18409060E-06
|
|
-0.18601777E-06 -0.18691241E-06 -0.18678845E-06 -0.18566498E-06 -0.18356604E-06
|
|
-0.18052042E-06 -0.17656141E-06 -0.17172654E-06 -0.16605732E-06 -0.15959892E-06
|
|
-0.15239992E-06 -0.14451193E-06 -0.13598931E-06 -0.12688881E-06 -0.11726924E-06
|
|
-0.10719110E-06 -0.96716281E-07 -0.85907647E-07 -0.74828739E-07 -0.63543406E-07
|
|
-0.52115464E-07 -0.40608360E-07 -0.29084848E-07 -0.17606665E-07 -0.62342254E-08
|
|
0.49736754E-08 0.15960142E-07 0.26670446E-07 0.37052280E-07 0.47055985E-07
|
|
0.56634775E-07 0.65744926E-07 0.74345959E-07 0.82400796E-07 0.89875896E-07
|
|
0.96741370E-07 0.10297108E-06 0.10854271E-06 0.11343781E-06 0.11764185E-06
|
|
0.12114420E-06 0.12393814E-06 0.12602083E-06 0.12739324E-06 0.12806009E-06
|
|
0.12802978E-06 0.12731425E-06 0.12592888E-06 0.12389234E-06 0.12122644E-06
|
|
0.11795597E-06 0.11410850E-06 0.10971420E-06 0.10480565E-06 0.99417583E-07
|
|
0.93586724E-07 0.87351522E-07 0.80751932E-07 0.73829177E-07 0.66625511E-07
|
|
0.59183977E-07 0.51548167E-07 0.43761984E-07 0.35869402E-07 0.27914237E-07
|
|
0.19939914E-07 0.11989246E-07 0.41042193E-08 -0.36742171E-08 -0.11306349E-07
|
|
-0.18753889E-07 -0.25980150E-07 -0.32950220E-07 -0.39631113E-07 -0.45991911E-07
|
|
-0.52003898E-07 -0.57640673E-07 -0.62878251E-07 -0.67695154E-07 -0.72072481E-07
|
|
-0.75993969E-07 -0.79446031E-07 -0.82417793E-07 -0.84901101E-07 -0.86890524E-07
|
|
-0.88383336E-07 -0.89379493E-07 -0.89881584E-07 -0.89894778E-07 -0.89426757E-07
|
|
-0.88487633E-07 -0.87089858E-07 -0.85248122E-07 -0.82979235E-07 -0.80302010E-07
|
|
-0.77237131E-07 -0.73807013E-07 -0.70035656E-07 -0.65948494E-07 -0.61572240E-07
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|
-0.56934721E-07 -0.52064718E-07 -0.46991793E-07 -0.41746130E-07 -0.36358355E-07
|
|
-0.30859374E-07 -0.25280206E-07 -0.19651814E-07 -0.14004941E-07 -0.83699571E-08
|
|
-0.27766993E-08 0.27456760E-08 0.81688364E-08 0.13465411E-07 0.18609120E-07
|
|
0.23574898E-07 0.28339005E-07 0.32879136E-07 0.37174511E-07 0.41205968E-07
|
|
0.44956036E-07 0.48409002E-07 0.51550967E-07 0.54369893E-07 0.56855640E-07
|
|
0.58999986E-07 0.60796646E-07 0.62241274E-07 0.63331460E-07 0.64066706E-07
|
|
0.64448409E-07 0.64479820E-07 0.64165999E-07 0.63513763E-07 0.62531625E-07
|
|
0.61229719E-07 0.59619727E-07 0.57714792E-07 0.55529427E-07 0.53079418E-07
|
|
0.50381722E-07 0.47454361E-07 0.44316309E-07 0.40987378E-07 0.37488103E-07
|
|
0.33839620E-07 0.30063548E-07 0.26181866E-07 0.22216791E-07 0.18190659E-07
|
|
0.14125803E-07 0.10044439E-07 0.59685435E-08 0.19197473E-08 -0.20807776E-08
|
|
-0.60124220E-08 -0.98552404E-08 -0.13590047E-07 -0.17198507E-07 -0.20663218E-07
|
|
-0.23967794E-07 -0.27096933E-07 -0.30036484E-07 -0.32773505E-07 -0.35296313E-07
|
|
-0.37594532E-07 -0.39659123E-07 -0.41482417E-07 -0.43058136E-07 -0.44381405E-07
|
|
-0.45448756E-07 -0.46258130E-07 -0.46808867E-07 -0.47101688E-07 -0.47138674E-07
|
|
-0.46923233E-07 -0.46460064E-07 -0.45755119E-07 -0.44815544E-07 -0.43649633E-07
|
|
-0.42266766E-07 -0.40677341E-07 -0.38892708E-07 -0.36925094E-07 -0.34787528E-07
|
|
-0.32493757E-07 -0.30058168E-07 -0.27495701E-07 -0.24821761E-07 -0.22052131E-07
|
|
-0.19202884E-07 -0.16290295E-07 -0.13330747E-07 -0.10340649E-07 -0.73363452E-08
|
|
-0.43340310E-08 -0.13496681E-08 0.16010957E-08 0.45030056E-08 0.73412748E-08
|
|
0.10101656E-07 0.12770511E-07 0.15334872E-07 0.17782503E-07 0.20101955E-07
|
|
0.22282613E-07 0.24314745E-07 0.26189537E-07 0.27899132E-07 0.29436654E-07
|
|
0.30796234E-07 0.31973027E-07 0.32963224E-07 0.33764057E-07 0.34373800E-07
|
|
0.34791767E-07 0.35018296E-07 0.35054740E-07 0.34903441E-07 0.34567707E-07
|
|
0.34051781E-07 0.33360807E-07 0.32500788E-07 0.31478547E-07 0.30301677E-07
|
|
0.28978491E-07 0.27517969E-07 0.25929702E-07 0.24223831E-07 0.22410989E-07
|
|
0.20502239E-07 0.18509003E-07 0.16443006E-07 0.14316202E-07 0.12140715E-07
|
|
0.99287657E-08 0.76926099E-08 0.54444718E-08 0.31964800E-08 0.96060428E-09
|
|
-0.12514057E-08 -0.34280794E-08 -0.55582830E-08 -0.76312734E-08 -0.96367507E-08
|
|
-0.11564906E-07 -0.13406469E-07 -0.15152747E-07 -0.16795667E-07 -0.18327807E-07
|
|
-0.19742430E-07 -0.21033508E-07 -0.22195748E-07 -0.23224608E-07 -0.24116312E-07
|
|
-0.24867863E-07 -0.25477043E-07 -0.25942420E-07 -0.26263344E-07 -0.26439941E-07
|
|
-0.26473100E-07 -0.26364462E-07 -0.26116400E-07 -0.25731997E-07 -0.25215021E-07
|
|
-0.24569897E-07 -0.23801674E-07 -0.22915993E-07 -0.21919045E-07 -0.20817537E-07
|
|
-0.19618645E-07 -0.18329973E-07 -0.16959508E-07 -0.15515569E-07 -0.14006763E-07
|
|
-0.12441934E-07 -0.10830113E-07 -0.91804685E-08 -0.75022550E-08 -0.58047649E-08
|
|
-0.40972774E-08 -0.23890097E-08 -0.68906934E-09 0.99359320E-09 0.26502295E-08
|
|
0.42723374E-08 0.58517027E-08 0.73804395E-08 0.88510274E-08 0.10256347E-07
|
|
0.11589714E-07 0.12844908E-07 0.14016197E-07 0.15098369E-07 0.16086746E-07
|
|
0.16977206E-07 0.17766199E-07 0.18450754E-07 0.19028494E-07 0.19497636E-07
|
|
0.19856997E-07 0.20105990E-07 0.20244623E-07 0.20273488E-07 0.20193756E-07
|
|
0.20007158E-07 0.19715974E-07 0.19323010E-07 0.18831581E-07 0.18245485E-07
|
|
0.17568975E-07 0.16806738E-07 0.15963855E-07 0.15045779E-07 0.14058296E-07
|
|
0.13007492E-07 0.11899715E-07 0.10741544E-07 0.95397439E-08 0.83012334E-08
|
|
0.70330435E-08 0.57422798E-08 0.44360837E-08 0.31215944E-08 0.18059108E-08
|
|
0.49605472E-09 -0.80106587E-09 -0.20786918E-08 -0.33302468E-08 -0.45493703E-08
|
|
-0.57299487E-08 -0.68661447E-08 -0.79524249E-08 -0.89835861E-08 -0.99547783E-08
|
|
-0.10861527E-07 -0.11699752E-07 -0.12465785E-07 -0.13156383E-07 -0.13768742E-07
|
|
-0.14300507E-07 -0.14749778E-07 -0.15115115E-07 -0.15395541E-07 -0.15590540E-07
|
|
-0.15700059E-07 -0.15724497E-07 -0.15664702E-07 -0.15521960E-07 -0.15297982E-07
|
|
-0.14994891E-07 -0.14615208E-07 -0.14161829E-07 -0.13638013E-07 -0.13047352E-07
|
|
kinetic energy density (partial)
|
|
0.10782161E+03 0.10778291E+03 0.10766689E+03 0.10747379E+03 0.10720405E+03
|
|
0.10685823E+03 0.10643710E+03 0.10594155E+03 0.10537265E+03 0.10473162E+03
|
|
0.10401981E+03 0.10323875E+03 0.10239006E+03 0.10147553E+03 0.10049706E+03
|
|
0.99456662E+02 0.98356469E+02 0.97198712E+02 0.95985717E+02 0.94719900E+02
|
|
0.93403753E+02 0.92039839E+02 0.90630782E+02 0.89179262E+02 0.87688001E+02
|
|
0.86159758E+02 0.84597319E+02 0.83003488E+02 0.81381081E+02 0.79732916E+02
|
|
0.78061806E+02 0.76370548E+02 0.74661921E+02 0.72938674E+02 0.71203523E+02
|
|
0.69459139E+02 0.67708148E+02 0.65953120E+02 0.64196569E+02 0.62440939E+02
|
|
0.60688610E+02 0.58941885E+02 0.57202991E+02 0.55474072E+02 0.53757190E+02
|
|
0.52054318E+02 0.50367339E+02 0.48698047E+02 0.47048140E+02 0.45419224E+02
|
|
0.43812808E+02 0.42230306E+02 0.40673036E+02 0.39142221E+02 0.37638986E+02
|
|
0.36164364E+02 0.34719293E+02 0.33304619E+02 0.31921098E+02 0.30569394E+02
|
|
0.29250087E+02 0.27963670E+02 0.26710553E+02 0.25491067E+02 0.24305462E+02
|
|
0.23153918E+02 0.22036537E+02 0.20953356E+02 0.19904342E+02 0.18889402E+02
|
|
0.17908380E+02 0.16961063E+02 0.16047186E+02 0.15166429E+02 0.14318429E+02
|
|
0.13502773E+02 0.12719012E+02 0.11966653E+02 0.11245171E+02 0.10554007E+02
|
|
0.98925730E+01 0.92602526E+01 0.86564067E+01 0.80803744E+01 0.75314761E+01
|
|
0.70090159E+01 0.65122840E+01 0.60405592E+01 0.55931114E+01 0.51692032E+01
|
|
0.47680923E+01 0.43890336E+01 0.40312807E+01 0.36940882E+01 0.33767128E+01
|
|
0.30784154E+01 0.27984620E+01 0.25361259E+01 0.22906881E+01 0.20614391E+01
|
|
0.18476798E+01 0.16487227E+01 0.14638923E+01 0.12925267E+01 0.11339777E+01
|
|
0.98761195E+00 0.85281126E+00 0.72897323E+00 0.61551174E+00 0.51185730E+00
|
|
0.41745735E+00 0.33177658E+00 0.25429708E+00 0.18451852E+00 0.12195819E+00
|
|
0.66151097E-01 0.16649898E-01 -0.26975111E-01 -0.65136115E-01 -0.98227916E-01
|
|
-0.12662810E+00 -0.15069725E+00 -0.17077917E+00 -0.18720120E+00 -0.20027445E+00
|
|
-0.21029414E+00 -0.21753997E+00 -0.22227644E+00 -0.22475324E+00 -0.22520564E+00
|
|
-0.22385490E+00 -0.22090868E+00 -0.21656146E+00 -0.21099500E+00 -0.20437873E+00
|
|
-0.19687023E+00 -0.18861567E+00 -0.17975024E+00 -0.17039860E+00 -0.16067535E+00
|
|
-0.15068546E+00 -0.14052468E+00 -0.13028003E+00 -0.12003017E+00 -0.10984589E+00
|
|
-0.99790467E-01 -0.89920110E-01 -0.80284349E-01 -0.70926428E-01 -0.61883691E-01
|
|
-0.53187948E-01 -0.44865844E-01 -0.36939207E-01 -0.29425391E-01 -0.22337602E-01
|
|
-0.15685218E-01 -0.94740966E-02 -0.37068668E-02 0.16167868E-02 0.64998532E-02
|
|
0.10947737E-01 0.14968009E-01 0.18570175E-01 0.21765447E-01 0.24566536E-01
|
|
0.26987448E-01 0.29043296E-01 0.30750122E-01 0.32124730E-01 0.33184526E-01
|
|
0.33947378E-01 0.34431471E-01 0.34655191E-01 0.34636998E-01 0.34395328E-01
|
|
0.33948486E-01 0.33314563E-01 0.32511350E-01 0.31556266E-01 0.30466296E-01
|
|
0.29257924E-01 0.27947092E-01 0.26549149E-01 0.25078812E-01 0.23550140E-01
|
|
0.21976502E-01 0.20370560E-01 0.18744248E-01 0.17108768E-01 0.15474578E-01
|
|
0.13851392E-01 0.12248180E-01 0.10673176E-01 0.91338822E-02 0.76370834E-02
|
|
0.61888604E-02 0.47946064E-02 0.34590457E-02 0.21862549E-02 0.97968543E-03
|
|
-0.15781270E-03 -0.12239650E-02 -0.22170461E-02 -0.31358524E-02 -0.39796738E-02
|
|
-0.47482648E-02 -0.54418156E-02 -0.60609228E-02 -0.66065596E-02 -0.70800467E-02
|
|
-0.74830232E-02 -0.78174175E-02 -0.80854192E-02 -0.82894508E-02 -0.84321406E-02
|
|
-0.85162961E-02 -0.85448785E-02 -0.85209771E-02 -0.84477857E-02 -0.83285798E-02
|
|
-0.81666937E-02 -0.79655005E-02 -0.77283913E-02 -0.74587570E-02 -0.71599704E-02
|
|
-0.68353696E-02 -0.64882427E-02 -0.61218136E-02 -0.57392287E-02 -0.53435452E-02
|
|
-0.49377204E-02 -0.45246016E-02 -0.41069177E-02 -0.36872720E-02 -0.32681352E-02
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0.55548649E-04 0.65611141E-04 0.75048069E-04 0.83826760E-04 0.91918861E-04
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0.99300374E-04 0.10595165E-03 0.11185740E-03 0.11700659E-03 0.12139247E-03
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0.12501243E-03 0.12786790E-03 0.12996428E-03 0.13131076E-03 0.13192021E-03
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0.13180898E-03 0.13099673E-03 0.12950627E-03 0.12736333E-03 0.12459635E-03
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0.12123629E-03 0.11731637E-03 0.11287186E-03 0.10793985E-03 0.10255900E-03
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0.96769291E-04 0.90611814E-04 0.84128506E-04 0.77361921E-04 0.70354995E-04
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0.63150815E-04 0.55792393E-04 0.48322447E-04 0.40783189E-04 0.33216121E-04
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0.25661837E-04 0.18159842E-04 0.10748370E-04 0.34642249E-05 -0.36573768E-05
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0.13234320E-04 0.16987643E-04 0.20567184E-04 0.23957958E-04 0.27146297E-04
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0.30119892E-04 0.32867831E-04 0.35380617E-04 0.37650195E-04 0.39669952E-04
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0.41434728E-04 0.42940805E-04 0.44185900E-04 0.45169138E-04 0.45891033E-04
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0.46353452E-04 0.46559575E-04 0.46513854E-04 0.46221957E-04 0.45690717E-04
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0.37990198E-04 0.36058900E-04 0.33976746E-04 0.31757891E-04 0.29416901E-04
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0.26968677E-04 0.24428367E-04 0.21811282E-04 0.19132813E-04 0.16408353E-04
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0.13653211E-04 0.10882543E-04 0.81112667E-05 0.53539984E-05 0.26249773E-05
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-0.56538037E-05 -0.38617459E-05 -0.20830350E-05 -0.32679681E-06 0.13981324E-05
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0.30832468E-05 0.47204092E-05 0.63018861E-05 0.78203804E-05 0.92690615E-05
|
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0.10641592E-04 0.11932150E-04 0.13135454E-04 0.14246776E-04 0.15261955E-04
|
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0.16177416E-04 0.16990167E-04 0.17697813E-04 0.18298551E-04 0.18791173E-04
|
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0.19175059E-04 0.19450171E-04 0.19617040E-04 0.19676756E-04 0.19630950E-04
|
|
0.19481777E-04 0.19231894E-04 0.18884438E-04 0.18443002E-04 0.17911606E-04
|
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0.17294669E-04 0.16596979E-04 0.15823664E-04 0.14980152E-04 0.14072148E-04
|
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0.13105589E-04 0.12086615E-04 0.11021532E-04 0.99167767E-05 0.87788787E-05
|
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0.76144269E-05 0.64300332E-05 0.52322978E-05 0.40277749E-05 0.28229396E-05
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0.16241551E-05 0.43764197E-06 -0.73055221E-06 -0.18745811E-05 -0.29888268E-05
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-0.40679251E-05 -0.51067889E-05 -0.61006303E-05 -0.70449801E-05 -0.79357059E-05
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-0.11968489E-04 -0.12399195E-04 -0.12756784E-04 -0.13040606E-04 -0.13250411E-04
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-0.10974610E-04 -0.10408788E-04 -0.97970592E-05 -0.91434122E-05 -0.84519903E-05
|
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-0.77270671E-05 -0.69730216E-05 -0.61943141E-05 -0.53954615E-05 -0.45810125E-05
|
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-0.37555235E-05 -0.29235346E-05 -0.20895463E-05 -0.12579964E-05 -0.43323773E-06
|
|
0.38048274E-06 0.11790449E-05 0.19584748E-05 0.27149630E-05 0.34448821E-05
|
|
0.41448025E-05 0.48115071E-05 0.54420054E-05 0.60335445E-05 0.65836206E-05
|
|
0.70899876E-05 0.75506650E-05 0.79639440E-05 0.83283920E-05 0.86428560E-05
|
|
0.89064639E-05 0.91186250E-05 0.92790282E-05 0.93876397E-05 0.94446985E-05
|
|
0.94507111E-05 0.94064445E-05 0.93129182E-05 0.91713948E-05 0.89833700E-05
|
|
0.87505606E-05 0.84748924E-05 0.81584870E-05 0.78036472E-05 0.74128428E-05
|
|
0.69886943E-05 0.65339577E-05 0.60515074E-05 0.55443194E-05 0.50154544E-05
|
|
0.44680402E-05 0.39052547E-05 0.33303080E-05 0.27464252E-05 0.21568295E-05
|
|
0.15647254E-05 0.97328171E-06 0.38561597E-06 -0.19522135E-06 -0.76626176E-06
|
|
-0.13246331E-05 -0.18675730E-05 -0.23924421E-05 -0.28967355E-05 -0.33780943E-05
|
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-0.38343157E-05 -0.42633619E-05 -0.46633689E-05 -0.50326533E-05 -0.53697182E-05
|
|
-0.56732592E-05 -0.59421671E-05 -0.61755322E-05 -0.63726449E-05 -0.65329973E-05
|
|
-0.66562827E-05 -0.67423940E-05 -0.67914214E-05 -0.68036495E-05 -0.67795523E-05
|
|
-0.67197884E-05 -0.66251947E-05 -0.64967793E-05 -0.63357140E-05 -0.61433256E-05
|
|
-0.59210866E-05 -0.56706056E-05 -0.53936167E-05 -0.50919686E-05 -0.47676134E-05
|
|
-0.44225948E-05 -0.40590358E-05 -0.36791269E-05 -0.32851132E-05 -0.28792821E-05
|
|
-0.24639505E-05 -0.20414525E-05 -0.16141266E-05 -0.11843033E-05 -0.75429347E-06
|
|
-0.32637589E-06 0.97213847E-07 0.51429462E-06 0.92275047E-06 0.13205407E-05
|
|
0.17057098E-05 0.20763962E-05 0.24308407E-05 0.27673947E-05 0.30845269E-05
|
|
0.33808301E-05 0.36550262E-05 0.39059718E-05 0.41326622E-05 0.43342343E-05
|
|
0.45099696E-05 0.46592960E-05 0.47817886E-05 0.48771698E-05 0.49453091E-05
|
|
0.49862212E-05 0.50000647E-05 0.49871384E-05 0.49478786E-05 0.48828544E-05
|
|
0.47927632E-05 0.46784249E-05 0.45407764E-05 0.43808648E-05 0.41998404E-05
|
|
0.39989493E-05 0.37795255E-05 0.35429829E-05 0.32908063E-05 0.30245434E-05
|
|
0.27457950E-05 0.24562062E-05 0.21574575E-05 0.18512549E-05 0.15393210E-05
|
|
0.12233853E-05 0.90517561E-06 0.58640839E-06 0.26878024E-06 -0.46040924E-07
|
|
-0.35642420E-06 -0.66078383E-06 -0.95758691E-06 -0.12453608E-05 -0.15227000E-05
|
|
-0.17882728E-05 -0.20408272E-05 -0.22791964E-05 -0.25023040E-05 -0.27091683E-05
|
|
-0.28989063E-05 -0.30707371E-05 -0.32239846E-05 -0.33580798E-05 -0.34725622E-05
|
|
-0.35670810E-05 -0.36413955E-05 -0.36953747E-05 -0.37289969E-05 -0.37423481E-05
|
|
-0.37356206E-05 -0.37091100E-05 -0.36632128E-05 -0.35984227E-05 -0.35153269E-05
|
|
-0.34146020E-05 -0.32970087E-05 -0.31633873E-05 -0.30146522E-05 -0.28517856E-05
|
|
-0.26758320E-05 -0.24878919E-05 -0.22891149E-05 -0.20806932E-05 -0.18638551E-05
|
|
-0.16398574E-05 -0.14099792E-05 -0.11755141E-05 -0.93776386E-06 -0.69803101E-06
|
|
-0.45761215E-06 -0.21779114E-06 0.20167463E-07 0.25502487E-06 0.48557426E-06
|
|
0.71064671E-06 0.92911694E-06 0.11399086E-05 0.13419995E-05 0.15344262E-05
|
|
0.17162883E-05 0.18867525E-05 0.20450562E-05 0.21905107E-05 0.23225035E-05
|
|
0.24405013E-05 0.25440510E-05 0.26327818E-05 0.27064059E-05 0.27647189E-05
|
|
0.28075997E-05 0.28350106E-05 0.28469963E-05 0.28436823E-05 0.28252735E-05
|
|
0.27920525E-05 0.27443766E-05 0.26826751E-05 0.26074465E-05 0.25192548E-05
|
|
0.24187257E-05 0.23065426E-05 0.21834423E-05 0.20502105E-05 0.19076768E-05
|
|
0.17567104E-05 0.15982143E-05 0.14331206E-05 0.12623853E-05 0.10869825E-05
|
|
0.90789930E-06 0.72613070E-06 0.54267384E-06 0.35852288E-06 0.17466380E-06
|
|
-0.79307268E-08 -0.18830631E-06 -0.36553168E-06 -0.53870330E-06 -0.70694982E-06
|
|
-0.86943633E-06 -0.10253683E-05 -0.11739952E-05 -0.13146143E-05 -0.14465733E-05
|
|
-0.15692736E-05 -0.16821726E-05 -0.17847861E-05 -0.18766899E-05 -0.19575217E-05
|
|
-0.20269820E-05 -0.20848349E-05 -0.21309088E-05 -0.21650967E-05 -0.21873557E-05
|
|
-0.21977063E-05 -0.21962323E-05 -0.21830789E-05 -0.21584516E-05 -0.21226142E-05
|
|
-0.20758868E-05 -0.20186438E-05 -0.19513106E-05 -0.18743615E-05 -0.17883160E-05
|
|
-0.16937360E-05 -0.15912221E-05 -0.14814100E-05 -0.13649669E-05 -0.12425875E-05
|
|
-0.11149898E-05 -0.98291160E-06 -0.84710569E-06 -0.70833622E-06 -0.56737431E-06
|
|
-0.42499392E-06 -0.28196774E-06 -0.13906314E-06 0.29618973E-08 0.14336259E-06
|
|
0.28141119E-06 0.41640066E-06 0.54764814E-06 0.67449829E-06 0.79632647E-06
|
|
0.91254168E-06 0.10225893E-05 0.11259537E-05 0.12221603E-05 0.13107780E-05
|
|
0.13914206E-05 0.14637484E-05 0.15274699E-05 0.15823422E-05 0.16281722E-05
|
|
0.16648166E-05 0.16921829E-05 0.17102284E-05 0.17189604E-05 0.17184356E-05
|
|
0.17087592E-05 0.16900836E-05 0.16626073E-05 0.16265736E-05 0.15822680E-05
|
|
0.15300170E-05 0.14701858E-05 0.14031756E-05 0.13294213E-05 0.12493889E-05
|
|
0.11635726E-05 0.10724918E-05 0.97668836E-06 0.87672306E-06 0.77317281E-06
|
|
0.66662723E-06 0.55768544E-06 0.44695278E-06 0.33503753E-06 0.22254767E-06
|
|
0.11008768E-06 -0.17446826E-08 -0.11236140E-06 -0.22118724E-06 -0.32766268E-06
|
|
-0.43124666E-06 -0.53141928E-06 -0.62768433E-06 -0.71957162E-06 -0.80663925E-06
|
|
-0.88847562E-06 -0.96470126E-06 -0.10349706E-05 -0.10989732E-05 -0.11564354E-05
|
|
-0.12071209E-05 -0.12508323E-05 -0.12874108E-05 -0.13167376E-05 -0.13387332E-05
|
|
-0.13533583E-05 -0.13606129E-05 -0.13605362E-05 -0.13532058E-05 -0.13387372E-05
|
|
atomic pseudo charge-density
|
|
0.11000000E+02 0.10988027E+02 0.10952333E+02 0.10893582E+02 0.10812844E+02
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0.27797420E-06 0.84132905E-07 -0.10769147E-06 -0.29641893E-06 -0.48100136E-06
|
|
-0.66042809E-06 -0.83373130E-06 -0.99999100E-06 -0.11583397E-05 -0.13079667E-05
|
|
-0.14481222E-05 -0.15781205E-05 -0.16973433E-05 -0.18052424E-05 -0.19013421E-05
|
|
-0.19852405E-05 -0.20566113E-05 -0.21152045E-05 -0.21608470E-05 -0.21934424E-05
|
|
-0.22129707E-05 -0.22194871E-05 -0.22131213E-05 -0.21940752E-05 -0.21626212E-05
|
|
-0.21190995E-05 -0.20639151E-05 -0.19975351E-05 -0.19204848E-05 -0.18333442E-05
|
|
-0.17367435E-05 -0.16313595E-05 -0.15179105E-05 -0.13971520E-05 -0.12698717E-05
|
|
-0.11368846E-05 -0.99902791E-06 -0.85715618E-06 -0.71213591E-06 -0.56484053E-06
|
|
-0.41614533E-06 -0.26692235E-06 -0.11803550E-06 0.29664362E-07 0.17534407E-06
|
|
0.31819274E-06 0.45742608E-06 0.59229058E-06 0.72206739E-06 0.84607598E-06
|
|
0.96367758E-06 0.10742782E-05 0.11773316E-05 0.12723416E-05 0.13588645E-05
|
|
0.14365105E-05 0.15049460E-05 0.15638938E-05 0.16131349E-05 0.16525082E-05
|
|
0.16819112E-05 0.17012998E-05 0.17106874E-05 0.17101446E-05 0.16997975E-05
|
|
0.16798269E-05 0.16504660E-05 0.16119988E-05 0.15647578E-05 0.15091211E-05
|
|
0.14455101E-05 0.13743864E-05 0.12962486E-05 0.12116293E-05 0.11210910E-05
|
|
0.10252233E-05 0.92463870E-06 0.81996890E-06 0.71186117E-06 0.60097433E-06
|
|
0.48797488E-06 0.37353317E-06 0.25831953E-06 0.14300044E-06 0.28234876E-07
|
|
-0.85329406E-07 -0.19705935E-06 -0.30634002E-06 -0.41257784E-06 -0.51520372E-06
|
|
-0.61367594E-06 -0.70748289E-06 -0.79614560E-06 -0.87922002E-06 -0.95629916E-06
|
|
-0.10270149E-05 -0.10910395E-05 -0.11480872E-05 -0.11979151E-05 -0.12403242E-05
|
|
-0.12751597E-05 -0.13023117E-05 -0.13217151E-05 -0.13333495E-05 -0.13372386E-05
|
|
-0.13334497E-05 -0.13220930E-05 -0.13033200E-05 -0.12773225E-05 -0.12443311E-05
|
|
-0.12046132E-05 -0.11584712E-05 -0.11062403E-05 -0.10482866E-05 -0.98500389E-06
|
|
-0.91681210E-06 -0.84415390E-06 -0.76749227E-06 -0.68730758E-06 -0.60409472E-06
|
|
-0.51836013E-06 -0.43061883E-06 -0.34139144E-06 -0.25120116E-06 -0.16057084E-06
|
|
-0.70019996E-07 0.19938023E-07 0.10879889E-06 0.19607000E-06 0.28127315E-06
|
|
0.36394705E-06 0.44364971E-06 0.51996073E-06 0.59248345E-06 0.66084688E-06
|
|
0.72470754E-06 0.78375109E-06 0.83769377E-06 0.88628367E-06 0.92930183E-06
|
|
0.96656310E-06 0.99791682E-06 0.10232473E-05 0.10424742E-05 0.10555525E-05
|
|
0.10624723E-05 0.10632587E-05 0.10579713E-05 0.10467034E-05 0.10295812E-05
|
|
0.10067625E-05 0.97843590E-06 0.94481929E-06 0.90615814E-06 0.86272400E-06
|
|
0.81481269E-06 0.76274238E-06 0.70685156E-06 0.64749694E-06 0.58505129E-06
|
|
0.51990111E-06 0.45244439E-06 0.38308820E-06 0.31224633E-06 0.24033689E-06
|
|
0.16777989E-06 0.94994874E-07 0.22398550E-07 -0.49597544E-07 -0.12058930E-06
|
|
-0.19018228E-06 -0.25799379E-06 -0.32365501E-06 -0.38681289E-06 -0.44713202E-06
|
|
-0.50429633E-06 -0.55801074E-06 -0.60800262E-06 -0.65402309E-06 -0.69584822E-06
|
|
-0.73328011E-06 -0.76614770E-06 -0.79430753E-06 -0.81764429E-06 -0.83607122E-06
|
|
-0.84953031E-06 -0.85799241E-06 -0.86145708E-06 -0.85995237E-06 -0.85353438E-06
|
|
-0.84228668E-06 -0.82631962E-06 -0.80576939E-06 -0.78079708E-06 -0.75158751E-06
|
|
-0.71834795E-06 -0.68130676E-06 -0.64071188E-06 -0.59682926E-06 -0.54994116E-06
|
|
-0.50034442E-06 -0.44834860E-06 -0.39427415E-06 -0.33845043E-06 -0.28121379E-06
|
|
-0.22290557E-06 -0.16387012E-06 -0.10445279E-06 -0.44997933E-07 0.14153005E-07
|
|
0.72663454E-07 0.13020359E-06 0.18645215E-06 0.24109821E-06 0.29384287E-06
|
|
16.2516435017787 T
|
|
Non local Part
|
|
1 2 1.24817825544202
|
|
-15.4013213497034 -6.87263001113248 -6.87263001113248
|
|
11.4801583170020
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.22744973E+00 0.45370563E+00 0.67758180E+00 0.89790812E+00
|
|
0.11135381E+01 0.13233564E+01 0.15262865E+01 0.17212979E+01 0.19074127E+01
|
|
0.20837130E+01 0.22493464E+01 0.24035325E+01 0.25455677E+01 0.26748306E+01
|
|
0.27907862E+01 0.28929892E+01 0.29810877E+01 0.30548252E+01 0.31140424E+01
|
|
0.31586781E+01 0.31887693E+01 0.32044510E+01 0.32059538E+01 0.31936027E+01
|
|
0.31678134E+01 0.31290887E+01 0.30780136E+01 0.30152503E+01 0.29415320E+01
|
|
0.28576558E+01 0.27644761E+01 0.26628958E+01 0.25538590E+01 0.24383414E+01
|
|
0.23173420E+01 0.21918734E+01 0.20629532E+01 0.19315941E+01 0.17987950E+01
|
|
0.16655324E+01 0.15327515E+01 0.14013581E+01 0.12722110E+01 0.11461151E+01
|
|
0.10238151E+01 0.90598946E+00 0.79324637E+00 0.68611944E+00 0.58506493E+00
|
|
0.49045973E+00 0.40260038E+00 0.32170299E+00 0.24790417E+00 0.18126279E+00
|
|
0.12176275E+00 0.69316483E-01 0.23769248E-01 -0.15095863E-01 -0.47552326E-01
|
|
-0.73924068E-01 -0.94578930E-01 -0.10992181E+00 -0.12038758E+00 -0.12643396E+00
|
|
-0.12853431E+00 -0.12717057E+00 -0.12282642E+00 -0.11598071E+00 -0.10710133E+00
|
|
-0.96639434E-01 -0.85024341E-01 -0.72658930E-01 -0.59915713E-01 -0.47133583E-01
|
|
-0.34615250E-01 -0.22625401E-01 -0.11389549E-01 -0.10935942E-02 0.81159598E-02
|
|
0.16131151E-01 0.22881121E-01 0.28330135E-01 0.32475141E-01 0.35342918E-01
|
|
0.36986886E-01 0.37483667E-01 0.36929456E-01 0.35436287E-01 0.33128266E-01
|
|
0.30137847E-01 0.26602214E-01 0.22659832E-01 0.18447226E-01 0.14096038E-01
|
|
0.97303997E-02 0.54646584E-02 0.14014756E-02 -0.23696798E-02 -0.57736411E-02
|
|
Real Space Part
|
|
0.00000000E+00 0.35300098E+00 0.70495709E+00 0.10548270E+01 0.14015766E+01
|
|
0.17441823E+01 0.20816349E+01 0.24129429E+01 0.27371357E+01 0.30532675E+01
|
|
0.33604203E+01 0.36577070E+01 0.39442750E+01 0.42193092E+01 0.44820344E+01
|
|
0.47317192E+01 0.49676776E+01 0.51892727E+01 0.53959183E+01 0.55870818E+01
|
|
0.57622860E+01 0.59211113E+01 0.60631973E+01 0.61882446E+01 0.62960161E+01
|
|
0.63863381E+01 0.64591012E+01 0.65142613E+01 0.65518396E+01 0.65719233E+01
|
|
0.65746651E+01 0.65602833E+01 0.65290607E+01 0.64813443E+01 0.64175437E+01
|
|
0.63381299E+01 0.62436333E+01 0.61346423E+01 0.60118003E+01 0.58758036E+01
|
|
0.57273987E+01 0.55673786E+01 0.53965800E+01 0.52158798E+01 0.50261908E+01
|
|
0.48284578E+01 0.46236539E+01 0.44127753E+01 0.41968373E+01 0.39768693E+01
|
|
0.37539099E+01 0.35290021E+01 0.33031881E+01 0.30775046E+01 0.28529770E+01
|
|
0.26306148E+01 0.24114065E+01 0.21963141E+01 0.19862689E+01 0.17821659E+01
|
|
0.15848597E+01 0.13951594E+01 0.12138250E+01 0.10415626E+01 0.87902101E+00
|
|
0.72678804E+00 0.58538719E+00 0.45527482E+00 0.33683750E+00 0.23038985E+00
|
|
0.13617270E+00 0.54351594E-01 -0.14984105E-01 -0.71821705E-01 -0.11622346E+00
|
|
-0.14831768E+00 -0.16897763E+00 -0.18097417E+00 -0.18470334E+00 -0.18030673E+00
|
|
-0.16801383E+00 -0.14814100E+00 -0.12107588E+00 -0.87338611E-01 -0.48074641E-01
|
|
-0.10354897E-02 -0.73497311E-03 0.56864932E-04 0.13466683E-04 -0.24089351E-05
|
|
-0.12111213E-06 0.72386227E-07 -0.64391007E-08 -0.11204669E-08 0.35709406E-09
|
|
-0.31246986E-10 -0.51957018E-11 0.20143003E-11 -0.30007130E-12 0.38968281E-14
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.53484156E+00 0.10617988E+01 0.15731103E+01 0.20612587E+01
|
|
0.25190874E+01 0.29399110E+01 0.33176181E+01 0.36467641E+01 0.39226528E+01
|
|
0.41414055E+01 0.43000158E+01 0.43963909E+01 0.44293764E+01 0.43987666E+01
|
|
0.43052987E+01 0.41506317E+01 0.39373110E+01 0.36687182E+01 0.33490078E+01
|
|
0.29830331E+01 0.25762602E+01 0.21346745E+01 0.16646789E+01 0.11729878E+01
|
|
0.66651682E+00 0.15227168E+00 -0.36276268E+00 -0.87173055E+00 -0.13680097E+01
|
|
-0.18453096E+01 -0.22977622E+01 -0.27200038E+01 -0.31072469E+01 -0.34553401E+01
|
|
-0.37608171E+01 -0.40209325E+01 -0.42336844E+01 -0.43978248E+01 -0.45128566E+01
|
|
-0.45790180E+01 -0.45972556E+01 -0.45691857E+01 -0.44970460E+01 -0.43836385E+01
|
|
-0.42322638E+01 -0.40466500E+01 -0.38308764E+01 -0.35892937E+01 -0.33264429E+01
|
|
-0.30469732E+01 -0.27555616E+01 -0.24568349E+01 -0.21552956E+01 -0.18552531E+01
|
|
-0.15607611E+01 -0.12755613E+01 -0.10030365E+01 -0.74617049E+00 -0.50751813E+00
|
|
-0.28918354E+00 -0.92807862E-01 0.80434178E-01 0.22982906E+00 0.35511109E+00
|
|
0.45644142E+00 0.53438031E+00 0.58985328E+00 0.62411228E+00 0.63869265E+00
|
|
0.63536711E+00 0.61609766E+00 0.58298641E+00 0.53822660E+00 0.48405440E+00
|
|
0.42270277E+00 0.35635796E+00 0.28711947E+00 0.21696413E+00 0.14771481E+00
|
|
0.81014095E-01 0.18303279E-01 -0.39193180E-01 -0.90477746E-01 -0.13478449E+00
|
|
-0.17157856E+00 -0.20055078E+00 -0.22160770E+00 -0.23485760E+00 -0.24059296E+00
|
|
-0.23927003E+00 -0.23148602E+00 -0.21795465E+00 -0.19948054E+00 -0.17693337E+00
|
|
-0.15122201E+00 -0.12326957E+00 -0.93989685E-01 -0.64264510E-01 -0.34924975E-01
|
|
Real Space Part
|
|
0.00000000E+00 -0.88793600E+00 -0.17720240E+01 -0.26484335E+01 -0.35133696E+01
|
|
-0.43630898E+01 -0.51939216E+01 -0.60022795E+01 -0.67846815E+01 -0.75377652E+01
|
|
-0.82583038E+01 -0.89432209E+01 -0.95896054E+01 -0.10194725E+02 -0.10756040E+02
|
|
-0.11271214E+02 -0.11738128E+02 -0.12154887E+02 -0.12519836E+02 -0.12831560E+02
|
|
-0.13088899E+02 -0.13290951E+02 -0.13437075E+02 -0.13526902E+02 -0.13560329E+02
|
|
-0.13537528E+02 -0.13458942E+02 -0.13325285E+02 -0.13137540E+02 -0.12896955E+02
|
|
-0.12605040E+02 -0.12263557E+02 -0.11874514E+02 -0.11440159E+02 -0.10962964E+02
|
|
-0.10445620E+02 -0.98910208E+01 -0.93022493E+01 -0.86825637E+01 -0.80353816E+01
|
|
-0.73642627E+01 -0.66728916E+01 -0.59650585E+01 -0.52446405E+01 -0.45155816E+01
|
|
-0.37818716E+01 -0.30475257E+01 -0.23165625E+01 -0.15929830E+01 -0.88074817E+00
|
|
-0.18375766E+00 0.49417231E+00 0.11493303E+01 0.17781310E+01 0.23771358E+01
|
|
0.29430730E+01 0.34728572E+01 0.39636084E+01 0.44126690E+01 0.48176210E+01
|
|
0.51763013E+01 0.54868160E+01 0.57475533E+01 0.59571945E+01 0.61147246E+01
|
|
0.62194397E+01 0.62709542E+01 0.62692051E+01 0.62144551E+01 0.61072936E+01
|
|
0.59486360E+01 0.57397210E+01 0.54821058E+01 0.51776586E+01 0.48285355E+01
|
|
0.44371029E+01 0.40112577E+01 0.35739399E+01 0.31296193E+01 0.26802991E+01
|
|
0.22281850E+01 0.17756953E+01 0.13253555E+01 0.88034016E+00 0.44867434E+00
|
|
0.92398884E-02 0.65592573E-02 -0.50749029E-03 -0.12018322E-03 0.21498508E-04
|
|
0.10808636E-05 -0.64600988E-06 0.57465665E-07 0.99995904E-08 -0.31868823E-08
|
|
0.27886382E-09 0.46369922E-10 -0.17976780E-10 0.26788597E-11 -0.37099215E-13
|
|
Non local Part
|
|
2 2 1.24817825544202
|
|
15.2575466052625 18.1816933436483 18.1816933436483
|
|
21.6507413889274
|
|
Reciprocal Space Part
|
|
0.00000000E+00 0.20612659E+00 0.81991623E+00 0.18276712E+01 0.32068037E+01
|
|
0.49261949E+01 0.69466940E+01 0.92217495E+01 0.11698167E+02 0.14316986E+02
|
|
0.17014463E+02 0.19723151E+02 0.22373060E+02 0.24892888E+02 0.27211293E+02
|
|
0.29258204E+02 0.30966140E+02 0.32271513E+02 0.33115906E+02 0.33447289E+02
|
|
0.33221157E+02 0.32401564E+02 0.30962040E+02 0.28886351E+02 0.26169100E+02
|
|
0.22816148E+02 0.18844832E+02 0.14283980E+02 0.91737067E+01 0.35649954E+01
|
|
-0.24809436E+01 -0.88935226E+01 -0.15593831E+02 -0.22495872E+02 -0.29507975E+02
|
|
-0.36534342E+02 -0.43476713E+02 -0.50236120E+02 -0.56714683E+02 -0.62817425E+02
|
|
-0.68454060E+02 -0.73540720E+02 -0.78001583E+02 -0.81770358E+02 -0.84791609E+02
|
|
-0.87021866E+02 -0.88430520E+02 -0.89000450E+02 -0.88728400E+02 -0.87625062E+02
|
|
-0.85714882E+02 -0.83035584E+02 -0.79637417E+02 -0.75582149E+02 -0.70941815E+02
|
|
-0.65797261E+02 -0.60236511E+02 -0.54352983E+02 -0.48243612E+02 -0.42006909E+02
|
|
-0.35741005E+02 -0.29541727E+02 -0.23500740E+02 -0.17703813E+02 -0.12229232E+02
|
|
-0.71464039E+01 -0.25146788E+01 0.16175819E+01 0.52136766E+01 0.82489590E+01
|
|
0.10710955E+02 0.12599202E+02 0.13924817E+02 0.14709816E+02 0.14986196E+02
|
|
0.14794820E+02 0.14184119E+02 0.13208667E+02 0.11927653E+02 0.10403293E+02
|
|
0.86992312E+01 0.68789573E+01 0.50042941E+01 0.31339804E+01 0.13223880E+01
|
|
-0.38159964E+00 -0.19355228E+01 -0.33040771E+01 -0.44596291E+01 -0.53825085E+01
|
|
-0.60610781E+01 -0.64915876E+01 -0.66778216E+01 -0.66305609E+01 -0.63668771E+01
|
|
-0.59092869E+01 -0.52847951E+01 -0.45238570E+01 -0.36592925E+01 -0.27251845E+01
|
|
Real Space Part
|
|
0.00000000E+00 -0.50662015E+00 -0.20226349E+01 -0.45365320E+01 -0.80292079E+01
|
|
-0.12474092E+02 -0.17837321E+02 -0.24077960E+02 -0.31148271E+02 -0.38994030E+02
|
|
-0.47554883E+02 -0.56764749E+02 -0.66552265E+02 -0.76841262E+02 -0.87551285E+02
|
|
-0.98598138E+02 -0.10989447E+03 -0.12135038E+03 -0.13287403E+03 -0.14437234E+03
|
|
-0.15575160E+03 -0.16691818E+03 -0.17777922E+03 -0.18824329E+03 -0.19822113E+03
|
|
-0.20762628E+03 -0.21637577E+03 -0.22439081E+03 -0.23159739E+03 -0.23792690E+03
|
|
-0.24331673E+03 -0.24771080E+03 -0.25106008E+03 -0.25332305E+03 -0.25446612E+03
|
|
-0.25446398E+03 -0.25329993E+03 -0.25096608E+03 -0.24746358E+03 -0.24280270E+03
|
|
-0.23700288E+03 -0.23009267E+03 -0.22210969E+03 -0.21310034E+03 -0.20311964E+03
|
|
-0.19223081E+03 -0.18050491E+03 -0.16802029E+03 -0.15486207E+03 -0.14112145E+03
|
|
-0.12689503E+03 -0.11228399E+03 -0.97393289E+02 -0.82330727E+02 -0.67206000E+02
|
|
-0.52129697E+02 -0.37212258E+02 -0.22562894E+02 -0.82884892E+01 0.55075194E+01
|
|
0.18726268E+02 0.31274594E+02 0.43066150E+02 0.54022501E+02 0.64074192E+02
|
|
0.73161781E+02 0.81236810E+02 0.88262735E+02 0.94215771E+02 0.99085670E+02
|
|
0.10287641E+03 0.10560679E+03 0.10731090E+03 0.10803856E+03 0.10785611E+03
|
|
0.10684917E+03 0.10491614E+03 0.10137943E+03 0.96279145E+02 0.89776084E+02
|
|
0.82048236E+02 0.73288101E+02 0.63701847E+02 0.53508242E+02 0.42937138E+02
|
|
0.32228321E+02 0.21629715E+02 0.11396033E+02 0.17869974E+01 -0.69342712E+01
|
|
-0.14503032E+02 -0.20654722E+02 -0.25126725E+02 -0.27660123E+02 -0.28003363E+02
|
|
-0.25903579E+02 -0.21118856E+02 -0.13684756E+02 -0.18316611E+01 0.20481469E-11
|
|
Reciprocal Space Part
|
|
0.00000000E+00 -0.17556193E+00 -0.69825208E+00 -0.15561463E+01 -0.27295799E+01
|
|
-0.41914586E+01 -0.59076899E+01 -0.78377299E+01 -0.99352411E+01 -0.12148852E+02
|
|
-0.14423014E+02 -0.16698936E+02 -0.18915604E+02 -0.21010847E+02 -0.22922457E+02
|
|
-0.24589333E+02 -0.25952641E+02 -0.26956961E+02 -0.27551416E+02 -0.27690740E+02
|
|
-0.27336293E+02 -0.26456979E+02 -0.25030059E+02 -0.23041836E+02 -0.20488196E+02
|
|
-0.17374985E+02 -0.13718217E+02 -0.95440972E+01 -0.48888468E+01 0.20165828E+00
|
|
0.56724493E+01 0.11460215E+02 0.17494235E+02 0.23697479E+02 0.29987859E+02
|
|
0.36279616E+02 0.42484804E+02 0.48514855E+02 0.54282196E+02 0.59701875E+02
|
|
0.64693163E+02 0.69181115E+02 0.73098028E+02 0.76384787E+02 0.78992057E+02
|
|
0.80881290E+02 0.82025528E+02 0.82409986E+02 0.82032383E+02 0.80903026E+02
|
|
0.79044642E+02 0.76491943E+02 0.73290957E+02 0.69498111E+02 0.65179108E+02
|
|
0.60407605E+02 0.55263738E+02 0.49832503E+02 0.44202059E+02 0.38461965E+02
|
|
0.32701404E+02 0.27007440E+02 0.21463330E+02 0.16146944E+02 0.11129328E+02
|
|
0.64734325E+01 0.22330399E+01 -0.15480813E+01 -0.48367882E+01 -0.76109243E+01
|
|
-0.98594250E+01 -0.11582171E+02 -0.12789597E+02 -0.13502069E+02 -0.13749047E+02
|
|
-0.13568071E+02 -0.13003575E+02 -0.12105587E+02 -0.10928335E+02 -0.95287975E+01
|
|
-0.79652442E+01 -0.62957914E+01 -0.45770193E+01 -0.28626784E+01 -0.12025175E+01
|
|
0.35874127E+00 0.17822573E+01 0.30357402E+01 0.40939210E+01 0.49388197E+01
|
|
0.55598094E+01 0.59534820E+01 0.61233271E+01 0.60792386E+01 0.58368694E+01
|
|
0.54168581E+01 0.48439523E+01 0.41460597E+01 0.33532534E+01 0.24967635E+01
|
|
Real Space Part
|
|
0.00000000E+00 0.47026617E+00 0.18775123E+01 0.42111044E+01 0.74533957E+01
|
|
0.11579842E+02 0.16559160E+02 0.22353534E+02 0.28918863E+02 0.36205047E+02
|
|
0.44156323E+02 0.52711634E+02 0.61805032E+02 0.71366126E+02 0.81320556E+02
|
|
0.91590498E+02 0.10209520E+03 0.11275154E+03 0.12347460E+03 0.13417828E+03
|
|
0.14477592E+03 0.15518087E+03 0.16530720E+03 0.17507028E+03 0.18438745E+03
|
|
0.19317862E+03 0.20136692E+03 0.20887929E+03 0.21564708E+03 0.22160660E+03
|
|
0.22669967E+03 0.23087414E+03 0.23408433E+03 0.23629149E+03 0.23746417E+03
|
|
0.23757854E+03 0.23661872E+03 0.23457695E+03 0.23145379E+03 0.22725823E+03
|
|
0.22200772E+03 0.21572812E+03 0.20845363E+03 0.20022662E+03 0.19109738E+03
|
|
0.18112379E+03 0.17037099E+03 0.15891087E+03 0.14682156E+03 0.13418687E+03
|
|
0.12109559E+03 0.10764080E+03 0.93919060E+02 0.80029633E+02 0.66073552E+02
|
|
0.52152725E+02 0.38368969E+02 0.24823017E+02 0.11613507E+02 -0.11640488E+01
|
|
-0.13418304E+02 -0.25063113E+02 -0.36018562E+02 -0.46211981E+02 -0.55578926E+02
|
|
-0.64064129E+02 -0.71622405E+02 -0.78219498E+02 -0.83832873E+02 -0.88452427E+02
|
|
-0.92081132E+02 -0.94735583E+02 -0.96446445E+02 -0.97258837E+02 -0.97233084E+02
|
|
-0.96447254E+02 -0.94807702E+02 -0.91692320E+02 -0.87137238E+02 -0.81289422E+02
|
|
-0.74311685E+02 -0.66380258E+02 -0.57684003E+02 -0.48423442E+02 -0.38809362E+02
|
|
-0.29061755E+02 -0.19408171E+02 -0.10082482E+02 -0.13232374E+01 0.66278113E+01
|
|
0.13527350E+02 0.19132154E+02 0.23200718E+02 0.25494867E+02 0.25783134E+02
|
|
0.23832780E+02 0.19421075E+02 0.12580230E+02 0.16835202E+01 -0.18823845E-11
|
|
Non local Part
|
|
0 2 1.24817825544202
|
|
2.73121184065954 7.92219542410737 7.92219542410737
|
|
23.4866270328267
|
|
Reciprocal Space Part
|
|
-0.58308716E+01 -0.59884022E+01 -0.64577240E+01 -0.72290972E+01 -0.82865232E+01
|
|
-0.96080897E+01 -0.11166444E+02 -0.12929380E+02 -0.14860529E+02 -0.16920138E+02
|
|
-0.19065910E+02 -0.21253903E+02 -0.23439444E+02 -0.25578066E+02 -0.27626417E+02
|
|
-0.29543144E+02 -0.31289718E+02 -0.32831191E+02 -0.34136866E+02 -0.35180862E+02
|
|
-0.35942567E+02 -0.36406975E+02 -0.36564891E+02 -0.36413006E+02 -0.35953854E+02
|
|
-0.35195627E+02 -0.34151893E+02 -0.32841186E+02 -0.31286511E+02 -0.29514760E+02
|
|
-0.27556062E+02 -0.25443081E+02 -0.23210277E+02 -0.20893155E+02 -0.18527508E+02
|
|
-0.16148689E+02 -0.13790907E+02 -0.11486578E+02 -0.92657384E+01 -0.71555300E+01
|
|
-0.51797731E+01 -0.33586265E+01 -0.17083436E+01 -0.24112614E+00 0.10349260E+01
|
|
0.21157709E+01 0.30012908E+01 0.36950778E+01 0.42041446E+01 0.45385728E+01
|
|
0.47111090E+01 0.47367214E+01 0.46321293E+01 0.44153177E+01 0.41050507E+01
|
|
0.37203955E+01 0.32802667E+01 0.28030038E+01 0.23059880E+01 0.18053080E+01
|
|
0.13154784E+01 0.84921686E+00 0.41728095E+00 0.28365887E-01 -0.31093793E+00
|
|
-0.59613010E+00 -0.82473205E+00 -0.99617080E+00 -0.11116206E+01 -0.11738098E+01
|
|
-0.11868000E+01 -0.11557459E+01 -0.10866435E+01 -0.98607446E+00 -0.86095401E+00
|
|
-0.71828985E+00 -0.56495746E+00 -0.40749779E+00 -0.25194122E+00 -0.10366146E+00
|
|
0.32738576E-01 0.15350772E+00 0.25579426E+00 0.33766133E+00 0.39807177E+00
|
|
0.43684524E+00 0.45459076E+00 0.45261875E+00 0.43283668E+00 0.39763297E+00
|
|
0.34975364E+00 0.29217639E+00 0.22798622E+00 0.16025683E+00 0.91941201E-01
|
|
0.25774421E-01 -0.35808722E-01 -0.90739708E-01 -0.13736457E+00 -0.17447405E+00
|
|
Real Space Part
|
|
-0.80840665E+02 -0.80820462E+02 -0.80759793E+02 -0.80658486E+02 -0.80516254E+02
|
|
-0.80332699E+02 -0.80107318E+02 -0.79839508E+02 -0.79528574E+02 -0.79173736E+02
|
|
-0.78774138E+02 -0.78328858E+02 -0.77836923E+02 -0.77297317E+02 -0.76708994E+02
|
|
-0.76070896E+02 -0.75381963E+02 -0.74641149E+02 -0.73847440E+02 -0.72999866E+02
|
|
-0.72097520E+02 -0.71139571E+02 -0.70125282E+02 -0.69054029E+02 -0.67925307E+02
|
|
-0.66738759E+02 -0.65494177E+02 -0.64191528E+02 -0.62830961E+02 -0.61412820E+02
|
|
-0.59937661E+02 -0.58406257E+02 -0.56819613E+02 -0.55178971E+02 -0.53485822E+02
|
|
-0.51741907E+02 -0.49949226E+02 -0.48110042E+02 -0.46226880E+02 -0.44302530E+02
|
|
-0.42340044E+02 -0.40342738E+02 -0.38314182E+02 -0.36258200E+02 -0.34178858E+02
|
|
-0.32080458E+02 -0.29967529E+02 -0.27844810E+02 -0.25717242E+02 -0.23589952E+02
|
|
-0.21468234E+02 -0.19357535E+02 -0.17263436E+02 -0.15191630E+02 -0.13147902E+02
|
|
-0.11138110E+02 -0.91681567E+01 -0.72439723E+01 -0.53714858E+01 -0.35566024E+01
|
|
-0.18051780E+01 -0.12299400E+00 0.14842684E+01 0.30110534E+01 0.44519565E+01
|
|
0.58017490E+01 0.70554036E+01 0.82081180E+01 0.92553393E+01 0.10192786E+02
|
|
0.11016473E+02 0.11722726E+02 0.12308212E+02 0.12769945E+02 0.13105293E+02
|
|
0.13311891E+02 0.13395468E+02 0.13386887E+02 0.13293663E+02 0.13119646E+02
|
|
0.12868749E+02 0.12545004E+02 0.12152546E+02 0.11695607E+02 0.11178510E+02
|
|
0.10605663E+02 0.99815530E+01 0.93107384E+01 0.85978344E+01 0.78475047E+01
|
|
0.70644470E+01 0.62533779E+01 0.54190190E+01 0.45660690E+01 0.36993040E+01
|
|
0.28228980E+01 0.19410576E+01 0.10746306E+01 0.13010893E+00 -0.13748850E-12
|
|
Reciprocal Space Part
|
|
0.10475007E+02 0.10500009E+02 0.10574303E+02 0.10695761E+02 0.10860895E+02
|
|
0.11064938E+02 0.11301953E+02 0.11564976E+02 0.11846178E+02 0.12137046E+02
|
|
0.12428586E+02 0.12711527E+02 0.12976540E+02 0.13214455E+02 0.13416469E+02
|
|
0.13574346E+02 0.13680614E+02 0.13728722E+02 0.13713198E+02 0.13629763E+02
|
|
0.13475429E+02 0.13248560E+02 0.12948904E+02 0.12577598E+02 0.12137131E+02
|
|
0.11631291E+02 0.11065071E+02 0.10444560E+02 0.97768016E+01 0.90696429E+01
|
|
0.83315623E+01 0.75714891E+01 0.67986161E+01 0.60222102E+01 0.52514264E+01
|
|
0.44951279E+01 0.37617174E+01 0.30589832E+01 0.23939622E+01 0.17728243E+01
|
|
0.12007786E+01 0.68200402E+00 0.21960444E+00 -0.18441062E+00 -0.52912083E+00
|
|
-0.81466605E+00 -0.10421951E+01 -0.12137941E+01 -0.13323978E+01 -0.14016846E+01
|
|
-0.14259614E+01 -0.14100384E+01 -0.13590995E+01 -0.12785707E+01 -0.11739893E+01
|
|
-0.10508785E+01 -0.91462847E+00 -0.77038794E+00 -0.62296731E+00 -0.47675596E+00
|
|
-0.33565452E+00 -0.20302329E+00 -0.81647075E-01 0.26283524E-01 0.11917485E+00
|
|
0.19601779E+00 0.25636145E+00 0.30027446E+00 0.32829564E+00 0.34137606E+00
|
|
0.34081445E+00 0.32818833E+00 0.30528281E+00 0.27401927E+00 0.23638592E+00
|
|
0.19437193E+00 0.14990694E+00 0.10480708E+00 0.60728802E-01 0.19131142E-01
|
|
-0.18752908E-01 -0.51935849E-01 -0.79685935E-01 -0.10152862E+00 -0.11723978E+00
|
|
-0.12683143E+00 -0.13053109E+00 -0.12875565E+00 -0.12208119E+00 -0.11120981E+00
|
|
-0.96934904E-01 -0.80105970E-01 -0.61594226E-01 -0.42260076E-01 -0.22923362E-01
|
|
-0.43372125E-02 0.12833891E-01 0.28031370E-01 0.40814872E-01 0.50869548E-01
|
|
Real Space Part
|
|
0.27151556E+02 0.27145618E+02 0.27127782E+02 0.27097991E+02 0.27056150E+02
|
|
0.27002127E+02 0.26935753E+02 0.26856826E+02 0.26765115E+02 0.26660358E+02
|
|
0.26542266E+02 0.26410530E+02 0.26264819E+02 0.26104789E+02 0.25930082E+02
|
|
0.25740336E+02 0.25535183E+02 0.25314260E+02 0.25077210E+02 0.24823685E+02
|
|
0.24553358E+02 0.24265922E+02 0.23961095E+02 0.23638630E+02 0.23298314E+02
|
|
0.22939978E+02 0.22563497E+02 0.22168798E+02 0.21755864E+02 0.21324735E+02
|
|
0.20875518E+02 0.20408383E+02 0.19923571E+02 0.19421398E+02 0.18902252E+02
|
|
0.18366603E+02 0.17814996E+02 0.17248059E+02 0.16666503E+02 0.16071116E+02
|
|
0.15462774E+02 0.14842430E+02 0.14211119E+02 0.13569955E+02 0.12920128E+02
|
|
0.12262902E+02 0.11599615E+02 0.10931670E+02 0.10260536E+02 0.95877405E+01
|
|
0.89148672E+01 0.82435494E+01 0.75754645E+01 0.69123288E+01 0.62558908E+01
|
|
0.56079247E+01 0.49702239E+01 0.43445935E+01 0.37328435E+01 0.31367812E+01
|
|
0.25582033E+01 0.19988890E+01 0.14605915E+01 0.94503069E+00 0.45388525E+00
|
|
-0.11214915E-01 -0.44869638E+00 -0.85704957E+00 -0.12348361E+01 -0.15806957E+01
|
|
-0.18933533E+01 -0.21716254E+01 -0.24144261E+01 -0.26207731E+01 -0.27897878E+01
|
|
-0.29206774E+01 -0.30146299E+01 -0.30791033E+01 -0.31161168E+01 -0.31268214E+01
|
|
-0.31123896E+01 -0.30740299E+01 -0.30129818E+01 -0.29305148E+01 -0.28279266E+01
|
|
-0.27065408E+01 -0.25677060E+01 -0.24127923E+01 -0.22431887E+01 -0.20603000E+01
|
|
-0.18655422E+01 -0.16603391E+01 -0.14461176E+01 -0.12242998E+01 -0.99633086E+00
|
|
-0.76349149E+00 -0.52707234E+00 -0.29292710E+00 -0.35554154E-01 0.37704741E-13
|
|
PAW radial sets
|
|
359 0.933919303582632
|
|
(5E20.12)
|
|
augmentation charges (non sperical)
|
|
0.508707682162E+00 -0.328689958058E+00 0.448865705066E+00 0.520428573536E+00 -0.191127187805E+00
|
|
-0.526860602225E+00 -0.328689958058E+00 0.142549945636E+00 -0.222257314179E+00 -0.256183724328E+00
|
|
0.475151715205E-01 0.111230552165E+00 0.448865705066E+00 -0.222257314179E+00 0.445929418914E+00
|
|
0.515048409347E+00 -0.115415325270E+00 -0.286991938860E+00 0.520428573536E+00 -0.256183724328E+00
|
|
0.515048409347E+00 0.594853579237E+00 -0.131556809742E+00 -0.326658301156E+00 -0.191127187805E+00
|
|
0.475151715205E-01 -0.115415325270E+00 -0.131556809742E+00 0.597582811507E-03 -0.226936306072E-01
|
|
-0.526860602225E+00 0.111230552165E+00 -0.286991938860E+00 -0.326658301156E+00 -0.226936306072E-01
|
|
-0.138306556295E+00
|
|
uccopancies in atom
|
|
0.199999999987E+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 0.799999998816E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.100000000214E+01 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00
|
|
grid
|
|
0.430837249637E-04 0.444847002187E-04 0.459312316941E-04 0.474248007644E-04 0.489669369748E-04
|
|
0.505592196077E-04 0.522032792995E-04 0.539007997110E-04 0.556535192516E-04 0.574632328591E-04
|
|
0.593317938385E-04 0.612611157594E-04 0.632531744161E-04 0.653100098507E-04 0.674337284425E-04
|
|
0.696265050649E-04 0.718905853127E-04 0.742282878020E-04 0.766420065444E-04 0.791342133988E-04
|
|
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|
|
-0.560930521464E+02 -0.544264653678E+02 -0.528016801053E+02 -0.512181064974E+02 -0.496755437575E+02
|
|
-0.481740784159E+02 -0.467139897118E+02 -0.452956275586E+02 -0.439192959068E+02 -0.425851418856E+02
|
|
-0.412930623061E+02 -0.400426381607E+02 -0.388331054271E+02 -0.376633654201E+02
|
|
core charge-density
|
|
0.436246243554E-03 0.464598576832E-03 0.494791592028E-03 0.526944588939E-03 0.561184579781E-03
|
|
0.597646785849E-03 0.636475165966E-03 0.677822978730E-03 0.721853380739E-03 0.768740063026E-03
|
|
0.818667928123E-03 0.871833810362E-03 0.928447242112E-03 0.988731268823E-03 0.105292331599E-02
|
|
0.112127611132E-02 0.119405866546E-02 0.127155731513E-02 0.135407683241E-02 0.144194160439E-02
|
|
0.153549688761E-02 0.163511014189E-02 0.174117244856E-02 0.185410001823E-02 0.197433579387E-02
|
|
0.210235115479E-02 0.223864772814E-02 0.238375931423E-02 0.253825393295E-02 0.270273599850E-02
|
|
0.287784863063E-02 0.306427611038E-02 0.326274648948E-02 0.347403436257E-02 0.369896381233E-02
|
|
0.393841153784E-02 0.419331017745E-02 0.446465183771E-02 0.475349184107E-02 0.506095270515E-02
|
|
0.538822836773E-02 0.573658867201E-02 0.610738412770E-02 0.650205096419E-02 0.692211649327E-02
|
|
0.736920479947E-02 0.784504277732E-02 0.835146653585E-02 0.889042819163E-02 0.946400307304E-02
|
|
0.100743973593E-01 0.107239561793E-01 0.114151721970E-01 0.121506947100E-01 0.129333392912E-01
|
|
0.137660980047E-01 0.146521502258E-01 0.155948741013E-01 0.165978586839E-01 0.176649167780E-01
|
|
0.188000985360E-01 0.200077058453E-01 0.212923075489E-01 0.226587555426E-01 0.241122017974E-01
|
|
0.256581163531E-01 0.273023063346E-01 0.290509360430E-01 0.309105481761E-01 0.328880862342E-01
|
|
0.349909181703E-01 0.372268613461E-01 0.396042088545E-01 0.421317572759E-01 0.448188359332E-01
|
|
0.476753377154E-01 0.507117515393E-01 0.539391965226E-01 0.573694579416E-01 0.610150250484E-01
|
|
0.648891308245E-01 0.690057937488E-01 0.733798616563E-01 0.780270577663E-01 0.829640289606E-01
|
|
0.882083963863E-01 0.937788084607E-01 0.996949963569E-01 0.105977832038E+00 0.112649388914E+00
|
|
0.119733005183E+00 0.127253349932E+00 0.135236492028E+00 0.143709971876E+00 0.152702876071E+00
|
|
0.162245914974E+00 0.172371503244E+00 0.183113843322E+00 0.194509011869E+00 0.206595049135E+00
|
|
0.219412051213E+00 0.233002265121E+00 0.247410186622E+00 0.262682660672E+00 0.278868984351E+00
|
|
0.296021012099E+00 0.314193263058E+00 0.333443030243E+00 0.353830491269E+00 0.375418820267E+00
|
|
0.398274300601E+00 0.422466437913E+00 0.448068072985E+00 0.475155493799E+00 0.503808546149E+00
|
|
0.534110742022E+00 0.566149364926E+00 0.600015571195E+00 0.635804486255E+00 0.673615294651E+00
|
|
0.713551322603E+00 0.755720111644E+00 0.800233481818E+00 0.847207582751E+00 0.896762930753E+00
|
|
0.949024429952E+00 0.100412137532E+01 0.106218743519E+01 0.112336061085E+01 0.118778317043E+01
|
|
0.125560155414E+01 0.132696624795E+01 0.140203162221E+01 0.148095573186E+01 0.156390007452E+01
|
|
0.165102930255E+01 0.174251088504E+01 0.183851471550E+01 0.193921266088E+01 0.204477804730E+01
|
|
0.215538507789E+01 0.227120817802E+01 0.239242126298E+01 0.251919692346E+01 0.265170552381E+01
|
|
0.279011420867E+01 0.293458581307E+01 0.308527767197E+01 0.324234032508E+01 0.340591611337E+01
|
|
0.357613766419E+01 0.375312626263E+01 0.393699010730E+01 0.412782244990E+01 0.432569961881E+01
|
|
0.453067892830E+01 0.474279647631E+01 0.496206483544E+01 0.518847064357E+01 0.542197210264E+01
|
|
0.566249639630E+01 0.590993703981E+01 0.616415117815E+01 0.642495685132E+01 0.669213024926E+01
|
|
0.696540298173E+01 0.724445939280E+01 0.752893395277E+01 0.781840876485E+01 0.811241122772E+01
|
|
0.841041189930E+01 0.871182261128E+01 0.901599488806E+01 0.932221872769E+01 0.962972180604E+01
|
|
0.993766916900E+01 0.102451634802E+02 0.105512458941E+02 0.108548976258E+02 0.111550422895E+02
|
|
0.114505490776E+02 0.117402368487E+02 0.120228791932E+02 0.122972105352E+02 0.125619333284E+02
|
|
0.128157263890E+02 0.130572544031E+02 0.132851786274E+02 0.134981687915E+02 0.136949161856E+02
|
|
0.138741479021E+02 0.140346421709E+02 0.141752447053E+02 0.142948859435E+02 0.143925990426E+02
|
|
0.144675384466E+02 0.145189988165E+02 0.145464340764E+02 0.145494762911E+02 0.145279540601E+02
|
|
0.144819100754E+02 0.144116174631E+02 0.143175945000E+02 0.142006172756E+02 0.140617298541E+02
|
|
0.139022514828E+02 0.137237803973E+02 0.135281937808E+02 0.133176434656E+02 0.130945469941E+02
|
|
0.128615737127E+02 0.126216256335E+02 0.123778128777E+02 0.121334236077E+02 0.118918884611E+02
|
|
0.116567396158E+02 0.114315647424E+02 0.112199562321E+02 0.110254562247E+02 0.108514980990E+02
|
|
0.107013451993E+02 0.105780277441E+02 0.104842789392E+02 0.104224714474E+02 0.103945554940E+02
|
|
0.104019999803E+02 0.104457380787E+02 0.105261188509E+02 0.106428664650E+02 0.107950485739E+02
|
|
0.109810553375E+02 0.111985904262E+02 0.114446751063E+02 0.117156661969E+02 0.120072883403E+02
|
|
0.123146806716E+02 0.126324576675E+02 0.129547836879E+02 0.132754604353E+02 0.135880262566E+02
|
|
0.138858658570E+02 0.141623286204E+02 0.144108533738E+02 0.146250971087E+02 0.147990649096E+02
|
|
0.149272381455E+02 0.150046978514E+02 0.150272401873E+02 0.149914808792E+02 0.148949456604E+02
|
|
0.147361439184E+02 0.145146230222E+02 0.142310011589E+02 0.138869769434E+02 0.134853145736E+02
|
|
0.130298038867E+02 0.125251953152E+02 0.119771104361E+02 0.113919295512E+02 0.107766584914E+02
|
|
0.101387776172E+02 0.948607673937E+01 0.882648039325E+01 0.816786851977E+01 0.751789808208E+01
|
|
0.688383140185E+01 0.627237696758E+01 0.568954804208E+01 0.514054340518E+01 0.462965340976E+01
|
|
0.416019229115E+01 0.373445548897E+01 0.335370114778E+01 0.301815444050E+01 0.272703889800E+01
|
|
0.247864214375E+01 0.227042241254E+01 0.209915271133E+01 0.196108524690E+01 0.185211327057E+01
|
|
0.176791824930E+01 0.170410398388E+01 0.165632227651E+01 0.162039049792E+01 0.159239789355E+01
|
|
0.156879668907E+01 0.154647473459E+01 0.152280755082E+01 0.149568883051E+01 0.146353963471E+01
|
|
0.142529757935E+01 0.138038821363E+01 0.132868145424E+01 0.127043638172E+01 0.120623790056E+01
|
|
0.113692877028E+01 0.106354033029E+01 0.987224901990E+00 0.909192430817E+00 0.830653408453E+00
|
|
0.752769594487E+00 0.676613552080E+00 0.603137226272E+00 0.533150059459E+00 0.467305757863E+00
|
|
0.406097247568E+00 0.349858808253E+00 0.298774251010E+00 0.252889905423E+00 0.212131146071E+00
|
|
0.176321213746E+00 0.145201164554E+00 0.118449901408E+00 0.957033987459E-01 0.765724107762E-01
|
|
0.606581439704E-01 0.475655635522E-01 0.369141795189E-01 0.283463108152E-01 0.215329501372E-01
|
|
0.161774436857E-01 0.120172609460E-01 0.882416332923E-02 0.640309270423E-02 0.459009673712E-02
|
|
0.324959060897E-02 0.227122611334E-02 0.156660085739E-02 0.106599544319E-02 0.715279327774E-03
|
|
0.473080968207E-03 0.308278235742E-03 0.197832679455E-03 0.124966432756E-03 0.776628983287E-04
|
|
0.474608920683E-04 0.285056012607E-04 0.168174237951E-04 0.974047170179E-05 0.553530746392E-05
|
|
0.308452750710E-05 0.168445179187E-05 0.900914021445E-06 0.471615656713E-06 0.241485666403E-06
|
|
0.120865671494E-06 0.590913932581E-07 0.281998081540E-07 0.131264827167E-07 0.595522139366E-08
|
|
0.263116527751E-08 0.113119551381E-08 0.472813334304E-09 0.191960288040E-09 0.756298995350E-10
|
|
0.288875416737E-10 0.106861415678E-10 0.382443365731E-11 0.132274616332E-11
|
|
kinetic energy-density
|
|
0.231440576860E+03 0.233017527304E+03 0.234656651154E+03 0.236360067320E+03 0.238129999255E+03
|
|
0.239968680293E+03 0.241878688066E+03 0.243862473197E+03 0.245922759968E+03 0.248062305006E+03
|
|
0.250284150122E+03 0.252591358689E+03 0.254987195445E+03 0.257475160012E+03 0.260058825343E+03
|
|
0.262742001160E+03 0.265528779084E+03 0.268423276195E+03 0.271430028452E+03 0.274553656875E+03
|
|
0.277799113735E+03 0.281171545484E+03 0.284676405341E+03 0.288319427840E+03 0.292106589495E+03
|
|
0.296044242355E+03 0.300139003048E+03 0.304397856779E+03 0.308828133260E+03 0.313437529823E+03
|
|
0.318234138950E+03 0.323226458228E+03 0.328423415761E+03 0.333834390751E+03 0.339469237948E+03
|
|
0.345338312675E+03 0.351452496246E+03 0.357823225852E+03 0.364462522824E+03 0.371383025900E+03
|
|
0.378598024142E+03 0.386121493155E+03 0.393968132821E+03 0.402153408585E+03 0.410693592105E+03
|
|
0.419605808962E+03 0.428908086034E+03 0.438619399450E+03 0.448759736303E+03 0.459350134825E+03
|
|
0.470412770605E+03 0.481970996157E+03 0.494049415082E+03 0.506673960748E+03 0.519871967913E+03
|
|
0.533672248944E+03 0.548105174577E+03 0.563202779813E+03 0.578998833113E+03 0.595528952501E+03
|
|
0.612830721918E+03 0.630943761118E+03 0.649909876051E+03 0.669773186020E+03 0.690580231901E+03
|
|
0.712380114714E+03 0.735224666599E+03 0.759168568912E+03 0.784269541711E+03 0.810588494275E+03
|
|
0.838189719170E+03 0.867141064027E+03 0.897514143831E+03 0.929384549168E+03 0.962832052576E+03
|
|
0.997940860507E+03 0.103479984246E+04 0.107350278645E+04 0.111414866963E+04 0.115684198445E+04
|
|
0.120169290548E+04 0.124881779755E+04 0.129833935733E+04 0.135038708306E+04 0.140509754551E+04
|
|
0.146261482296E+04 0.152309088724E+04 0.158668598250E+04 0.165356908468E+04 0.172391833905E+04
|
|
0.179792155656E+04 0.187577663819E+04 0.195769214100E+04 0.204388781569E+04 0.213459510782E+04
|
|
0.223005774345E+04 0.233053237067E+04 0.243628911518E+04 0.254761225488E+04 0.266480084126E+04
|
|
0.278816943129E+04 0.291804872798E+04 0.305478634615E+04 0.319874751926E+04 0.335031587116E+04
|
|
0.350989418321E+04 0.367790519114E+04 0.385479236024E+04 0.404102073022E+04 0.423707771779E+04
|
|
0.444347393481E+04 0.466074403137E+04 0.488944751820E+04 0.513016958561E+04 0.538352190694E+04
|
|
0.565014344045E+04 0.593070120652E+04 0.622589096521E+04 0.653643805373E+04 0.686309792501E+04
|
|
0.720665673229E+04 0.756793200343E+04 0.794777298470E+04 0.834706104408E+04 0.876670989888E+04
|
|
0.920766591448E+04 0.967090790294E+04 0.101574471747E+05 0.106683271694E+05 0.112046229329E+05
|
|
0.117674404697E+05 0.123579158079E+05 0.129772137889E+05 0.136265265883E+05 0.143070719920E+05
|
|
0.150200912147E+05 0.157668464331E+05 0.165486179287E+05 0.173667007189E+05 0.182224008137E+05
|
|
0.191170309025E+05 0.200519055459E+05 0.210283357614E+05 0.220476230550E+05 0.231110527204E+05
|
|
0.242198865362E+05 0.253753547193E+05 0.265786471157E+05 0.278309035927E+05 0.291332037133E+05
|
|
0.304865554186E+05 0.318918830175E+05 0.333500141643E+05 0.348616660494E+05 0.364274306300E+05
|
|
0.380477590445E+05 0.397229450909E+05 0.414531079176E+05 0.432381738836E+05 0.450778576597E+05
|
|
0.469716426934E+05 0.489187609738E+05 0.509181724207E+05 0.529685438465E+05 0.550682275911E+05
|
|
0.572152402496E+05 0.594072415214E+05 0.616415131843E+05 0.639149389497E+05 0.662239850047E+05
|
|
0.685646816991E+05 0.709326068327E+05 0.733228706998E+05 0.757301032874E+05 0.781484442648E+05
|
|
0.805715358019E+05 0.829925190920E+05 0.854040345942E+05 0.877982268469E+05 0.901667541143E+05
|
|
0.925008033925E+05 0.947911111560E+05 0.970279904672E+05 0.992013646521E+05 0.101300808087E+06
|
|
0.103315594157E+06 0.105234751032E+06 0.107047125012E+06 0.108741451761E+06 0.110306435373E+06
|
|
0.111730834968E+06 0.113003558818E+06 0.114113765119E+06 0.115050969282E+06 0.115805156619E+06
|
|
0.116366899566E+06 0.116727478384E+06 0.116879003834E+06 0.116814540431E+06 0.116528228521E+06
|
|
0.116015403213E+06 0.115272708319E+06 0.114298202922E+06 0.113091458389E+06 0.111653643536E+06
|
|
0.109987595427E+06 0.108097873670E+06 0.105990795702E+06 0.103674451267E+06 0.101158693955E+06
|
|
0.984551084212E+05 0.955769520698E+05 0.925390705212E+05 0.893577867402E+05 0.860507643069E+05
|
|
0.826368459525E+05 0.791358690744E+05 0.755684605796E+05 0.719558137913E+05 0.683194494520E+05
|
|
0.646809688639E+05 0.610617902161E+05 0.574828867811E+05 0.539645186582E+05 0.505259670284E+05
|
|
0.471852758271E+05 0.439590080897E+05 0.408620252896E+05 0.379072979119E+05 0.351057541106E+05
|
|
0.324661709141E+05 0.299951097172E+05 0.276968953345E+05 0.255736360060E+05 0.236252807597E+05
|
|
0.218497103314E+05 0.202428583330E+05 0.187988598660E+05 0.175102250894E+05 0.163680348521E+05
|
|
0.153621550518E+05 0.144814655158E+05 0.137140987280E+05 0.130476832655E+05 0.124695865922E+05
|
|
0.119671520057E+05 0.115279247735E+05 0.111398628455E+05 0.107915283615E+05 0.104722565263E+05
|
|
0.101722995724E+05 0.988294383023E+04 0.959659904668E+04 0.930685959464E+04 0.900853784690E+04
|
|
0.869767048331E+04 0.837149922447E+04 0.802842735568E+04 0.766795418957E+04 0.729058939104E+04
|
|
0.689774947206E+04 0.649163876913E+04 0.607511734943E+04 0.565155862382E+04 0.522469994901E+04
|
|
0.479849011729E+04 0.437693869235E+04 0.396397460907E+04 0.356331874225E+04 0.317838243468E+04
|
|
0.281219772164E+04 0.246737598647E+04 0.214608736559E+04 0.185003356625E+04 0.158039130674E+04
|
|
0.133773435186E+04 0.112198085674E+04 0.932425388503E+03 0.767866459925E+03 0.626765218417E+03
|
|
0.507364459025E+03 0.407758730987E+03 0.325943811454E+03 0.259865339958E+03 0.207469709327E+03
|
|
0.166753552510E+03 0.135808020256E+03 0.112855507957E+03 0.962777644887E+02 0.846351362375E+02
|
|
0.766772061681E+02 0.713454604591E+02 0.677689221785E+02 0.652538812801E+02 0.632690295110E+02
|
|
0.614273548564E+02 0.594660979365E+02 0.572259833532E+02 0.546307721848E+02 0.516679450281E+02
|
|
0.483711452398E+02 0.448048871636E+02 0.410514986490E+02 0.372006012473E+02 0.333409830138E+02
|
|
0.295546134582E+02 0.259126233604E+02 0.224729556813E+02 0.192793932586E+02 0.163616738882E+02
|
|
0.137364161595E+02 0.114086068989E+02 0.937342910938E+01 0.761824317671E+01 0.612456906112E+01
|
|
0.486995240990E+01 0.382963198582E+01 0.297795772186E+01 0.228953694132E+01 0.174010948427E+01
|
|
0.130716995329E+01 0.970366499726E+00 0.711711214477E+00 0.515638101734E+00 0.368942969467E+00
|
|
0.260636665884E+00 0.181740044783E+00 0.125045679000E+00 0.848674598515E-01 0.567946836478E-01
|
|
0.374624658991E-01 0.243458443627E-01 0.155811900662E-01 0.981570354625E-02 0.608380692299E-02
|
|
0.370801399136E-02 0.222120618974E-02 0.130700961296E-02 0.755029046805E-03 0.427945569102E-03
|
|
0.237843709838E-03 0.129540429253E-03 0.690965484429E-04 0.360716830435E-04 0.184183978951E-04
|
|
0.919227844048E-05 0.448109350000E-05 0.213220942817E-05 0.989570333824E-06 0.447619459152E-06
|
|
0.197187093744E-06 0.845283742446E-07 0.352299860985E-07 0.142633919102E-07 0.560441470530E-08
|
|
0.213507628996E-08 0.787830285709E-09 0.281274780402E-09 0.970584552925E-10
|
|
mkinetic energy-density pseudized
|
|
0.113647350517E-05 0.121158576470E-05 0.129166237356E-05 0.137703143751E-05 0.146804274756E-05
|
|
0.156506921331E-05 0.166850839079E-05 0.177878411149E-05 0.189634821893E-05 0.202168242006E-05
|
|
0.215530025898E-05 0.229774922114E-05 0.244961297665E-05 0.261151377173E-05 0.278411497836E-05
|
|
0.296812381237E-05 0.316429423116E-05 0.337343002297E-05 0.359638810034E-05 0.383408201120E-05
|
|
0.408748568204E-05 0.435763740847E-05 0.464564410955E-05 0.495268586325E-05 0.528002074170E-05
|
|
0.562898996602E-05 0.600102340184E-05 0.639764541798E-05 0.682048113245E-05 0.727126307117E-05
|
|
0.775183826680E-05 0.826417582679E-05 0.881037500155E-05 0.939267378597E-05 0.100134580893E-04
|
|
0.106752715111E-04 0.113808257636E-04 0.121330117825E-04 0.129349115720E-04 0.137898108335E-04
|
|
0.147012124280E-04 0.156728507290E-04 0.167087069233E-04 0.178130253239E-04 0.189903307601E-04
|
|
0.202454471180E-04 0.215835171055E-04 0.230100233241E-04 0.245308107331E-04 0.261521105989E-04
|
|
0.278805660265E-04 0.297232591793E-04 0.316877402969E-04 0.337820586321E-04 0.360147954307E-04
|
|
0.383950990930E-04 0.409327226579E-04 0.436380637646E-04 0.465222072560E-04 0.495969705972E-04
|
|
0.528749522959E-04 0.563695835235E-04 0.600951831474E-04 0.640670164003E-04 0.683013574280E-04
|
|
0.728155559701E-04 0.776281084479E-04 0.827587337513E-04 0.882284540338E-04 0.940596808476E-04
|
|
0.100276306971E-03 0.106903804308E-03 0.113969328249E-03 0.121501828945E-03 0.129532169916E-03
|
|
0.138093254517E-03 0.147220160748E-03 0.156950284984E-03 0.167323495196E-03 0.178382294306E-03
|
|
0.190171994329E-03 0.202740902037E-03 0.216140516878E-03 0.230425741989E-03 0.245655109147E-03
|
|
0.261891018590E-03 0.279199994685E-03 0.297652958497E-03 0.317325518367E-03 0.338298279699E-03
|
|
0.360657175214E-03 0.384493817038E-03 0.409905872048E-03 0.436997462038E-03 0.465879590315E-03
|
|
0.496670596501E-03 0.529496641382E-03 0.564492223805E-03 0.601800731728E-03 0.641575029695E-03
|
|
0.683978085126E-03 0.729183635999E-03 0.777376902654E-03 0.828755346638E-03 0.883529479691E-03
|
|
0.941923726197E-03 0.100417734262E-02 0.107054539771E-02 0.114129981746E-02 0.121673049914E-02
|
|
0.129714649891E-02 0.138287729794E-02 0.147427415218E-02 0.157171153129E-02 0.167558865270E-02
|
|
0.178633111697E-02 0.190439265124E-02 0.203025696785E-02 0.216443974579E-02 0.230749074299E-02
|
|
0.245999604823E-02 0.262258048180E-02 0.279591015471E-02 0.298069519699E-02 0.317769266626E-02
|
|
0.338770964834E-02 0.361160656272E-02 0.385030068633E-02 0.410476991005E-02 0.437605674336E-02
|
|
0.466527258336E-02 0.497360226581E-02 0.530230891663E-02 0.565273912375E-02 0.602632845049E-02
|
|
0.642460731283E-02 0.684920724481E-02 0.730186757744E-02 0.778444255844E-02 0.829890894196E-02
|
|
0.884737407916E-02 0.943208454258E-02 0.100554353197E-01 0.107199796131E-01 0.114284392864E-01
|
|
0.121837160007E-01 0.129889030836E-01 0.138472981823E-01 0.147624167501E-01 0.157380064224E-01
|
|
0.167780623398E-01 0.178868434809E-01 0.190688900717E-01 0.203290421410E-01 0.216724592979E-01
|
|
0.231046418120E-01 0.246314530800E-01 0.262591435713E-01 0.279943763491E-01 0.298442542691E-01
|
|
0.318163489666E-01 0.339187317485E-01 0.361600065143E-01 0.385493448398E-01 0.410965233621E-01
|
|
0.438119636188E-01 0.467067744982E-01 0.497927974728E-01 0.530826547950E-01 0.565898008477E-01
|
|
0.603285768553E-01 0.643142691703E-01 0.685631713682E-01 0.730926503959E-01 0.779212170346E-01
|
|
0.830686009534E-01 0.885558306510E-01 0.944053185945E-01 0.100640951891E+00 0.107288188841E+00
|
|
0.114374161754E+00 0.121927786409E+00 0.129979878605E+00 0.138563278215E+00 0.147712981249E+00
|
|
0.157466280399E+00 0.167862914614E+00 0.178945228252E+00 0.190758340415E+00 0.203350325076E+00
|
|
0.216772402676E+00 0.231079143870E+00 0.246328686175E+00 0.262582964286E+00 0.279907954866E+00
|
|
0.298373936685E+00 0.318055766999E+00 0.339033175100E+00 0.361391074059E+00 0.385219891652E+00
|
|
0.410615921594E+00 0.437681696168E+00 0.466526381451E+00 0.497266196330E+00 0.530024856580E+00
|
|
0.564934045303E+00 0.602133911051E+00 0.641773595031E+00 0.684011788767E+00 0.729017323659E+00
|
|
0.776969793869E+00 0.828060213984E+00 0.882491712887E+00 0.940480265272E+00 0.100225546216E+01
|
|
0.106806132176E+01 0.113815714195E+01 0.121281839544E+01 0.129233766872E+01 0.137702564562E+01
|
|
0.146721213600E+01 0.156324715004E+01 0.166550201815E+01 0.177437055612E+01 0.189027027468E+01
|
|
0.201364363218E+01 0.214495932843E+01 0.228471363679E+01 0.243343177111E+01 0.259166928263E+01
|
|
0.276001348130E+01 0.293908487399E+01 0.312953861113E+01 0.333206593096E+01 0.354739558891E+01
|
|
0.377629525694E+01 0.401957287529E+01 0.427807793582E+01 0.455270267261E+01 0.484438313193E+01
|
|
0.515410008881E+01 0.548287977288E+01 0.583179436038E+01 0.620196218309E+01 0.659454759805E+01
|
|
0.701076045429E+01 0.745185508418E+01 0.791912873772E+01 0.841391936793E+01 0.893760266400E+01
|
|
0.949158821689E+01 0.100773146887E+02 0.106962438431E+02 0.113498532788E+02 0.120396276925E+02
|
|
0.127670484802E+02 0.135335814696E+02 0.143406625584E+02 0.151896810159E+02 0.160819601880E+02
|
|
0.170187353324E+02 0.180011282940E+02 0.190301187232E+02 0.201065115313E+02 0.212309002791E+02
|
|
0.224036261991E+02 0.236247325724E+02 0.248939142073E+02 0.262104618152E+02 0.275732011422E+02
|
|
0.289804268026E+02 0.304298308775E+02 0.319184264926E+02 0.334424667765E+02 0.349973598404E+02
|
|
0.365775807062E+02 0.381765814614E+02 0.397867013388E+02 0.413990789057E+02 0.430035691254E+02
|
|
0.445886687060E+02 0.461414538917E+02 0.476475356758E+02 0.490910383048E+02 0.504546078902E+02
|
|
0.517194589149E+02 0.528654673722E+02 0.538713201451E+02 0.547147309427E+02 0.553727335374E+02
|
|
0.558220630629E+02 0.560396355439E+02 0.560031344263E+02 0.556917103881E+02 0.550867968298E+02
|
|
0.541730378330E+02 0.529393176471E+02 0.513798705508E+02 0.494954368741E+02 0.472944147843E+02
|
|
0.447939379993E+02 0.420207870113E+02 0.390120161623E+02 0.358151520288E+02 0.324877917895E+02
|
|
0.290964062570E+02 0.257141349376E+02 0.224173551386E+02 0.192808206757E+02 0.163712067034E+02
|
|
0.137389757063E+02 0.114086068989E+02 0.937342910938E+01 0.761824317671E+01 0.612456906112E+01
|
|
0.486995240990E+01 0.382963198582E+01 0.297795772186E+01 0.228953694132E+01 0.174010948427E+01
|
|
0.130716995329E+01 0.970366499726E+00 0.711711214477E+00 0.515638101734E+00 0.368942969467E+00
|
|
0.260636665884E+00 0.181740044783E+00 0.125045679000E+00 0.848674598515E-01 0.567946836478E-01
|
|
0.374624658991E-01 0.243458443627E-01 0.155811900662E-01 0.981570354625E-02 0.608380692299E-02
|
|
0.370801399136E-02 0.222120618974E-02 0.130700961296E-02 0.755029046805E-03 0.427945569102E-03
|
|
0.237843709838E-03 0.129540429253E-03 0.690965484429E-04 0.360716830435E-04 0.184183978951E-04
|
|
0.919227844048E-05 0.448109350000E-05 0.213220942817E-05 0.989570333824E-06 0.447619459152E-06
|
|
0.197187093744E-06 0.845283742446E-07 0.352299860985E-07 0.142633919102E-07 0.560441470530E-08
|
|
0.213507628996E-08 0.787830285709E-09 0.281274780402E-09 0.970584552925E-10
|
|
local pseudopotential core
|
|
-0.340905611007E+03 -0.340906410366E+03 -0.340907184545E+03 -0.340907934337E+03 -0.340908660511E+03
|
|
-0.340909363809E+03 -0.340910044952E+03 -0.340910704636E+03 -0.340911343538E+03 -0.340911962311E+03
|
|
-0.340912561590E+03 -0.340913141986E+03 -0.340913704095E+03 -0.340914248491E+03 -0.340914775732E+03
|
|
-0.340915286358E+03 -0.340915780891E+03 -0.340916259837E+03 -0.340916723685E+03 -0.340917172912E+03
|
|
-0.340917607976E+03 -0.340918029322E+03 -0.340918437382E+03 -0.340918832571E+03 -0.340919215296E+03
|
|
-0.340919585947E+03 -0.340919944903E+03 -0.340920292530E+03 -0.340920629184E+03 -0.340920955209E+03
|
|
-0.340921270938E+03 -0.340921576693E+03 -0.340921872786E+03 -0.340922159520E+03 -0.340922437187E+03
|
|
-0.340922706070E+03 -0.340922966443E+03 -0.340923218571E+03 -0.340923462711E+03 -0.340923699112E+03
|
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-0.340923928013E+03 -0.340924149648E+03 -0.340924364241E+03 -0.340924572011E+03 -0.340924773167E+03
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|
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-0.340925852172E+03 -0.340926012375E+03 -0.340926167415E+03 -0.340926317449E+03 -0.340926462625E+03
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-0.340927239396E+03 -0.340927354328E+03 -0.340927465420E+03 -0.340927572777E+03 -0.340927676502E+03
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-0.340928227758E+03 -0.340928308564E+03 -0.340928386406E+03 -0.340928461349E+03 -0.340928533455E+03
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-0.340928602783E+03 -0.340928669385E+03 -0.340928733312E+03 -0.340928794610E+03 -0.340928853321E+03
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-0.340929336293E+03 -0.340929365710E+03 -0.340929392692E+03 -0.340929417217E+03 -0.340929439255E+03
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-0.340929458771E+03 -0.340929475724E+03 -0.340929490065E+03 -0.340929501741E+03 -0.340929510687E+03
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-0.340929402561E+03 -0.340929370629E+03 -0.340929334277E+03 -0.340929293286E+03 -0.340929247421E+03
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-0.340915832847E+03 -0.340914848147E+03 -0.340913797823E+03 -0.340912677557E+03 -0.340911482742E+03
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-0.318580577265E+03 -0.317186410885E+03 -0.315711175303E+03 -0.314150967614E+03 -0.312501813282E+03
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-0.300512798052E+03 -0.298128547450E+03 -0.295624051710E+03 -0.292996059950E+03 -0.290241661679E+03
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|
-0.287358366673E+03 -0.284344193893E+03 -0.281197769630E+03 -0.277918434709E+03 -0.274506360164E+03
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-0.270962670111E+03 -0.267289569561E+03 -0.263490473413E+03 -0.259570130534E+03 -0.255534733101E+03
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-0.251391995246E+03 -0.247151174943E+03 -0.242822996464E+03 -0.238419404588E+03 -0.233953044174E+03
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-0.229436314794E+03 -0.224879826669E+03 -0.220290154814E+03 -0.215667093267E+03 -0.211001301051E+03
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|
-0.206274207369E+03 -0.201462482482E+03 -0.196547491612E+03 -0.191523894413E+03 -0.186390956862E+03
|
|
-0.181106348175E+03 -0.175529221284E+03 -0.169564291946E+03 -0.164185961892E+03 -0.159017750842E+03
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-0.154015985011E+03 -0.149169884948E+03 -0.144489118454E+03 -0.139964352432E+03 -0.135580485579E+03
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-0.131315295932E+03 -0.127168484044E+03 -0.123162402437E+03 -0.119282505595E+03 -0.115525132395E+03
|
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-0.111886328010E+03 -0.108362288027E+03 -0.104949351355E+03 -0.101643980721E+03 -0.984427619947E+02
|
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-0.953423977771E+02 -0.923396988317E+02 -0.894315816302E+02 -0.866150605472E+02 -0.838872476767E+02
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-0.812453470557E+02 -0.786866515020E+02 -0.762085389814E+02 -0.738084718567E+02 -0.714839911929E+02
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-0.692327168012E+02 -0.670523428762E+02 -0.649406363013E+02 -0.628954347647E+02 -0.609146436536E+02
|
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-0.589962344180E+02 -0.571382425172E+02 -0.553387653104E+02 -0.535959693666E+02 -0.519080408047E+02
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-0.502732801319E+02 -0.486900034523E+02 -0.471565893798E+02 -0.456714675913E+02 -0.442331172319E+02
|
|
-0.428400653440E+02 -0.414908853604E+02 -0.401841956336E+02 -0.389186580323E+02
|
|
pspotential valence only
|
|
-0.274964956947E+03 -0.274965756312E+03 -0.274966530498E+03 -0.274967280299E+03 -0.274968006481E+03
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-0.274968709788E+03 -0.274969390940E+03 -0.274970050635E+03 -0.274970689548E+03 -0.274971308333E+03
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-0.274971907623E+03 -0.274972488032E+03 -0.274973050156E+03 -0.274973594567E+03 -0.274974121824E+03
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|
-0.274974632467E+03 -0.274975127018E+03 -0.274975605983E+03 -0.274976069852E+03 -0.274976519101E+03
|
|
-0.274976954188E+03 -0.274977375560E+03 -0.274977783646E+03 -0.274978178864E+03 -0.274978561619E+03
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-0.274978932302E+03 -0.274979291292E+03 -0.274979638956E+03 -0.274979975649E+03 -0.274980301716E+03
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-0.274980617489E+03 -0.274980923292E+03 -0.274981219436E+03 -0.274981506224E+03 -0.274981783948E+03
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-0.274982052892E+03 -0.274982313330E+03 -0.274982565528E+03 -0.274982809742E+03 -0.274983046222E+03
|
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-0.274983275208E+03 -0.274983496932E+03 -0.274983711622E+03 -0.274983919493E+03 -0.274984120759E+03
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-0.274984315622E+03 -0.274984504279E+03 -0.274984686923E+03 -0.274984863738E+03 -0.274985034901E+03
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-0.274985200586E+03 -0.274985360959E+03 -0.274985516182E+03 -0.274985666409E+03 -0.274985811792E+03
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-0.274985952474E+03 -0.274986088598E+03 -0.274986220296E+03 -0.274986347700E+03 -0.274986470936E+03
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-0.274986590123E+03 -0.274986705379E+03 -0.274986816815E+03 -0.274986924540E+03 -0.274987028657E+03
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-0.274987129265E+03 -0.274987226460E+03 -0.274987320332E+03 -0.274987410970E+03 -0.274987498457E+03
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-0.274987582872E+03 -0.274987664291E+03 -0.274987742787E+03 -0.274987818427E+03 -0.274987891276E+03
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-0.274987961396E+03 -0.274988028842E+03 -0.274988093670E+03 -0.274988155928E+03 -0.274988215662E+03
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-0.274988272915E+03 -0.274988327726E+03 -0.274988380128E+03 -0.274988430154E+03 -0.274988477828E+03
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-0.274988523176E+03 -0.274988566214E+03 -0.274988606957E+03 -0.274988645417E+03 -0.274988681598E+03
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-0.274988715502E+03 -0.274988747125E+03 -0.274988776459E+03 -0.274988803490E+03 -0.274988828201E+03
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-0.274988850566E+03 -0.274988870557E+03 -0.274988888137E+03 -0.274988903265E+03 -0.274988915892E+03
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-0.274988925965E+03 -0.274988933419E+03 -0.274988938186E+03 -0.274988940189E+03 -0.274988939341E+03
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-0.274988935548E+03 -0.274988928707E+03 -0.274988918704E+03 -0.274988905416E+03 -0.274988888707E+03
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-0.274988868433E+03 -0.274988844434E+03 -0.274988816540E+03 -0.274988784566E+03 -0.274988748313E+03
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-0.274988707567E+03 -0.274988662096E+03 -0.274988611651E+03 -0.274988555968E+03 -0.274988494758E+03
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-0.274988427715E+03 -0.274988354510E+03 -0.274988274790E+03 -0.274988188177E+03 -0.274988094267E+03
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-0.274987992627E+03 -0.274987882795E+03 -0.274987764274E+03 -0.274987636537E+03 -0.274987499017E+03
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-0.274987351110E+03 -0.274987192170E+03 -0.274987021509E+03 -0.274986838389E+03 -0.274986642024E+03
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-0.274986431576E+03 -0.274986206147E+03 -0.274985964782E+03 -0.274985706460E+03 -0.274985430092E+03
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-0.274985134517E+03 -0.274984818494E+03 -0.274984480700E+03 -0.274984119726E+03 -0.274983734065E+03
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-0.274983322113E+03 -0.274982882158E+03 -0.274982412372E+03 -0.274981910809E+03 -0.274981375392E+03
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-0.274980803904E+03 -0.274980193985E+03 -0.274979543116E+03 -0.274978848610E+03 -0.274978107603E+03
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-0.274977317042E+03 -0.274976473669E+03 -0.274975574014E+03 -0.274974614374E+03 -0.274973590801E+03
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-0.274972499088E+03 -0.274971334747E+03 -0.274970092994E+03 -0.274968768730E+03 -0.274967356515E+03
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-0.274965850553E+03 -0.274964244663E+03 -0.274962532255E+03 -0.274960706303E+03 -0.274958759319E+03
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-0.274926644371E+03 -0.274922443142E+03 -0.274917964110E+03 -0.274913188937E+03 -0.274908098077E+03
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-0.274902670690E+03 -0.274896884565E+03 -0.274890716024E+03 -0.274884139829E+03 -0.274877129075E+03
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-0.274869655085E+03 -0.274861687292E+03 -0.274853193113E+03 -0.274844137819E+03 -0.274834484392E+03
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-0.274824193377E+03 -0.274813222720E+03 -0.274801527598E+03 -0.274789060239E+03 -0.274775769727E+03
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-0.274761601798E+03 -0.274746498619E+03 -0.274730398554E+03 -0.274713235919E+03 -0.274694940716E+03
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|
-0.274675438349E+03 -0.274654649329E+03 -0.274632488951E+03 -0.274608866958E+03 -0.274583687177E+03
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-0.274556847138E+03 -0.274528237666E+03 -0.274497742442E+03 -0.274465237548E+03 -0.274430590969E+03
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-0.274393662078E+03 -0.274354301079E+03 -0.274312348415E+03 -0.274267634148E+03 -0.274219977291E+03
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|
-0.274169185103E+03 -0.274115052343E+03 -0.274057360474E+03 -0.273995876821E+03 -0.273930353680E+03
|
|
-0.273860527370E+03 -0.273786117232E+03 -0.273706824568E+03 -0.273622331518E+03 -0.273532299872E+03
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-0.273436369816E+03 -0.273334158602E+03 -0.273225259153E+03 -0.273109238583E+03 -0.272985636641E+03
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-0.272853964069E+03 -0.272713700880E+03 -0.272564294545E+03 -0.272405158086E+03 -0.272235668082E+03
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-0.272055162579E+03 -0.271862938903E+03 -0.271658251381E+03 -0.271440308963E+03 -0.271208272748E+03
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|
-0.270961253423E+03 -0.270698308607E+03 -0.270418440116E+03 -0.270120591141E+03 -0.269803643367E+03
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|
-0.269466414023E+03 -0.269107652890E+03 -0.268726039284E+03 -0.268320179019E+03 -0.267888601391E+03
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-0.267429756204E+03 -0.266942010870E+03 -0.266423647629E+03 -0.265872860926E+03 -0.265287755012E+03
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|
-0.264666341820E+03 -0.264006539201E+03 -0.263306169592E+03 -0.262562959222E+03 -0.261774537962E+03
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|
-0.260938439947E+03 -0.260052105113E+03 -0.259112881808E+03 -0.258118030668E+03 -0.257064729951E+03
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-0.255950082578E+03 -0.254771125117E+03 -0.253524839018E+03 -0.252208164402E+03 -0.250818016765E+03
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|
-0.249351306973E+03 -0.247804964971E+03 -0.246175967671E+03 -0.244461371483E+03 -0.242658350031E+03
|
|
-0.240764237591E+03 -0.238776578803E+03 -0.236693185229E+03 -0.234512199311E+03 -0.232232166219E+03
|
|
-0.229852114020E+03 -0.227371642465E+03 -0.224791020438E+03 -0.222111291866E+03 -0.219334389343E+03
|
|
-0.216463254117E+03 -0.213501960013E+03 -0.210455837422E+03 -0.207331591064E+03 -0.204137401541E+03
|
|
-0.200882994520E+03 -0.197579651256E+03 -0.194240117561E+03 -0.190878342141E+03 -0.187508937641E+03
|
|
-0.184146213802E+03 -0.180802608675E+03 -0.177486414473E+03 -0.174198999609E+03 -0.170932418256E+03
|
|
-0.167669274587E+03 -0.164387147844E+03 -0.161067995298E+03 -0.157706695405E+03 -0.154302297818E+03
|
|
-0.150811752781E+03 -0.147092918443E+03 -0.143048561332E+03 -0.139590136833E+03 -0.136198609555E+03
|
|
-0.132834685140E+03 -0.129497752420E+03 -0.126206492128E+03 -0.122959442817E+03 -0.119748444671E+03
|
|
-0.116557706210E+03 -0.113393359994E+03 -0.110284649744E+03 -0.107224587140E+03 -0.104217609919E+03
|
|
-0.101268017609E+03 -0.983799282867E+02 -0.955568585746E+02 -0.928014936345E+02 -0.901156389487E+02
|
|
-0.875003091969E+02 -0.849558697783E+02 -0.824821793056E+02 -0.800786968412E+02 -0.777445454925E+02
|
|
-0.754785328647E+02 -0.732791438671E+02 -0.711445211223E+02 -0.690724618693E+02 -0.670604433269E+02
|
|
-0.651056946260E+02 -0.632053127681E+02 -0.613564095640E+02 -0.595562674235E+02 -0.578024792218E+02
|
|
-0.560930521464E+02 -0.544264653678E+02 -0.528016801053E+02 -0.512181064974E+02 -0.496755437575E+02
|
|
-0.481740784159E+02 -0.467139897118E+02 -0.452956275586E+02 -0.439192959068E+02 -0.425851418857E+02
|
|
-0.412930623061E+02 -0.400426381607E+02 -0.388331054272E+02 -0.376633654201E+02
|
|
core charge-density (pseudized)
|
|
0.159798441073E-07 0.170359903283E-07 0.181619397854E-07 0.193623059417E-07 0.206420071753E-07
|
|
0.220062869316E-07 0.234607352077E-07 0.250113114573E-07 0.266643690083E-07 0.284266810954E-07
|
|
0.303054686128E-07 0.323084297006E-07 0.344437712873E-07 0.367202427174E-07 0.391471715999E-07
|
|
0.417345020281E-07 0.444928353243E-07 0.474334734772E-07 0.505684654512E-07 0.539106565553E-07
|
|
0.574737410758E-07 0.612723183869E-07 0.653219527705E-07 0.696392371886E-07 0.742418612720E-07
|
|
0.791486838012E-07 0.843798099783E-07 0.899566738061E-07 0.959021259118E-07 0.102240527175E-06
|
|
0.108997848542E-06 0.116201777444E-06 0.123881831237E-06 0.132069478151E-06 0.140798266225E-06
|
|
0.150103960767E-06 0.160024690899E-06 0.170601105788E-06 0.181876541199E-06 0.193897197060E-06
|
|
0.206712326762E-06 0.220374438967E-06 0.234939512759E-06 0.250467227010E-06 0.267021204910E-06
|
|
0.284669274653E-06 0.303483747357E-06 0.323541713351E-06 0.344925358042E-06 0.367722298661E-06
|
|
0.392025943267E-06 0.417935873472E-06 0.445558252465E-06 0.475006260006E-06 0.506400556164E-06
|
|
0.539869775707E-06 0.575551055170E-06 0.613590594750E-06 0.654144257346E-06 0.697378207189E-06
|
|
0.743469590674E-06 0.792607262198E-06 0.844992557963E-06 0.900840120927E-06 0.960378780270E-06
|
|
0.102385248899E-05 0.109152132348E-05 0.116366254913E-05 0.124057175638E-05 0.132256407190E-05
|
|
0.140997544972E-05 0.150316404778E-05 0.160251169540E-05 0.170842545781E-05 0.182133930397E-05
|
|
0.194171588472E-05 0.207004842841E-05 0.220686276180E-05 0.235271946453E-05 0.250821616601E-05
|
|
0.267398999406E-05 0.285072018544E-05 0.303913086884E-05 0.323999403187E-05 0.345413268408E-05
|
|
0.368242422905E-05 0.392580405936E-05 0.418526938908E-05 0.446188333962E-05 0.475677929554E-05
|
|
0.507116554833E-05 0.540633024695E-05 0.576364667565E-05 0.614457888055E-05 0.655068766805E-05
|
|
0.698363699969E-05 0.744520080961E-05 0.793727027251E-05 0.846186155199E-05 0.902112406089E-05
|
|
0.961734926752E-05 0.102529800839E-04 0.109306208742E-04 0.116530481249E-04 0.124232218200E-04
|
|
0.132442975673E-04 0.141196395273E-04 0.150528341947E-04 0.160477050926E-04 0.171083284356E-04
|
|
0.182390498298E-04 0.194445020745E-04 0.207296241419E-04 0.220996814094E-04 0.235602872295E-04
|
|
0.251174259252E-04 0.267774773033E-04 0.285472427892E-04 0.304339732869E-04 0.324453988801E-04
|
|
0.345897604960E-04 0.368758436600E-04 0.393130144807E-04 0.419112580123E-04 0.446812191511E-04
|
|
0.476342462322E-04 0.507824375081E-04 0.541386906947E-04 0.577167557916E-04 0.615312913897E-04
|
|
0.655979246981E-04 0.699333155340E-04 0.745552245391E-04 0.794825859000E-04 0.847355848693E-04
|
|
0.903357404055E-04 0.963059932682E-04 0.102670799928E-03 0.109456232677E-03 0.116690086341E-03
|
|
0.124401992044E-03 0.132623538467E-03 0.141388401120E-03 0.150732480134E-03 0.160694047141E-03
|
|
0.171313901852E-03 0.182635538953E-03 0.194705326001E-03 0.207572693061E-03 0.221290334836E-03
|
|
0.235914426112E-03 0.251504851412E-03 0.268125449774E-03 0.285844275642E-03 0.304733876955E-03
|
|
0.324871591526E-03 0.346339862938E-03 0.369226577220E-03 0.393625421677E-03 0.419636267301E-03
|
|
0.447365576336E-03 0.476926836617E-03 0.508441024434E-03 0.542037097803E-03 0.577852522090E-03
|
|
0.616033830137E-03 0.656737219096E-03 0.700129186389E-03 0.746387207307E-03 0.795700456976E-03
|
|
0.848270579535E-03 0.904312507604E-03 0.964055335270E-03 0.102774324806E-02 0.109563651355E-02
|
|
0.116801253654E-02 0.124516698285E-02 0.132741497627E-02 0.141509237323E-02 0.150855712010E-02
|
|
0.160819069855E-02 0.171439966432E-02 0.182761728551E-02 0.194830528653E-02 0.207695570433E-02
|
|
0.221409286408E-02 0.236027548151E-02 0.251609890004E-02 0.268219747073E-02 0.285924708404E-02
|
|
0.304796786265E-02 0.324912702499E-02 0.346354192994E-02 0.369208331349E-02 0.393567872878E-02
|
|
0.419531620165E-02 0.447204811409E-02 0.476699532907E-02 0.508135157046E-02 0.541638807254E-02
|
|
0.577345851425E-02 0.615400425396E-02 0.655955988113E-02 0.699175910183E-02 0.745234097577E-02
|
|
0.794315652299E-02 0.846617571890E-02 0.902349489671E-02 0.961734457698E-02 0.102500977439E-01
|
|
0.109242785884E-01 0.116425717385E-01 0.124078319958E-01 0.132230945993E-01 0.140915860344E-01
|
|
0.150167354056E-01 0.160021863908E-01 0.170518097914E-01 0.181697166934E-01 0.193602722490E-01
|
|
0.206281100884E-01 0.219781473643E-01 0.234156004296E-01 0.249460011431E-01 0.265752137887E-01
|
|
0.283094525896E-01 0.301552997869E-01 0.321197242434E-01 0.342101005178E-01 0.364342283441E-01
|
|
0.388003524302E-01 0.413171824722E-01 0.439939132588E-01 0.468402447116E-01 0.498664016825E-01
|
|
0.530831532897E-01 0.565018315409E-01 0.601343489462E-01 0.639932147730E-01 0.680915495417E-01
|
|
0.724430972986E-01 0.770622351283E-01 0.819639792939E-01 0.871639873022E-01 0.926785550929E-01
|
|
0.985246084441E-01 0.104719687564E+00 0.111281923704E+00 0.118230006494E+00 0.125583140518E+00
|
|
0.133360989506E+00 0.141583606306E+00 0.150271346610E+00 0.159444764203E+00 0.169124485258E+00
|
|
0.179331058986E+00 0.190084781696E+00 0.201405491090E+00 0.213312327346E+00 0.225823457359E+00
|
|
0.238955758235E+00 0.252724456013E+00 0.267142715401E+00 0.282221176256E+00 0.297967432556E+00
|
|
0.314385449712E+00 0.331474916337E+00 0.349230527039E+00 0.367641193460E+00 0.386689181740E+00
|
|
0.406349175869E+00 0.426587268063E+00 0.447359879509E+00 0.468612617529E+00 0.490279078649E+00
|
|
0.512279611223E+00 0.534520056277E+00 0.556890491270E+00 0.579264008487E+00 0.601495568013E+00
|
|
0.623420974572E+00 0.644856038121E+00 0.665595989778E+00 0.685415237344E+00 0.704067558120E+00
|
|
0.721286840396E+00 0.736788498376E+00 0.750271697427E+00 0.761422536209E+00 0.769918337884E+00
|
|
0.775433202078E+00 0.777644960057E+00 0.776243654468E+00 0.770941628211E+00 0.761485250106E+00
|
|
0.747668223190E+00 0.729346309224E+00 0.706453155140E+00 0.679016718615E+00 0.647175556961E+00
|
|
0.611193964443E+00 0.571474619935E+00 0.528567046773E+00 0.483169805084E+00 0.436123959120E+00
|
|
0.388395027813E+00 0.341040392117E+00 0.295159074581E+00 0.251821024465E+00 0.211973658557E+00
|
|
0.176324568135E+00 0.145201164554E+00 0.118449901408E+00 0.957033987459E-01 0.765724107762E-01
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|
0.606581439704E-01 0.475655635522E-01 0.369141795189E-01 0.283463108152E-01 0.215329501372E-01
|
|
0.161774436857E-01 0.120172609460E-01 0.882416332923E-02 0.640309270423E-02 0.459009673712E-02
|
|
0.324959060897E-02 0.227122611334E-02 0.156660085739E-02 0.106599544319E-02 0.715279327774E-03
|
|
0.473080968207E-03 0.308278235742E-03 0.197832679455E-03 0.124966432756E-03 0.776628983287E-04
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|
0.474608920683E-04 0.285056012607E-04 0.168174237951E-04 0.974047170179E-05 0.553530746392E-05
|
|
0.308452750710E-05 0.168445179187E-05 0.900914021445E-06 0.471615656713E-06 0.241485666403E-06
|
|
0.120865671494E-06 0.590913932581E-07 0.281998081540E-07 0.131264827167E-07 0.595522139366E-08
|
|
0.263116527751E-08 0.113119551381E-08 0.472813334304E-09 0.191960288040E-09 0.756298995350E-10
|
|
0.288875416737E-10 0.106861415678E-10 0.382443365731E-11 0.132274616332E-11
|
|
pseudo wavefunction
|
|
0.127269978815E-07 0.135681556963E-07 0.144649076482E-07 0.154209280870E-07 0.164401342092E-07
|
|
0.175267021080E-07 0.186850838846E-07 0.199200258905E-07 0.212365881746E-07 0.226401652167E-07
|
|
0.241365080308E-07 0.257317477290E-07 0.274324206434E-07 0.292454951078E-07 0.311784000101E-07
|
|
0.332390552308E-07 0.354359040946E-07 0.377779479656E-07 0.402747831295E-07 0.429366401136E-07
|
|
0.457744256052E-07 0.487997671405E-07 0.520250607474E-07 0.554635217369E-07 0.591292388517E-07
|
|
0.630372319927E-07 0.672035137622E-07 0.716451550736E-07 0.763803550976E-07 0.814285158313E-07
|
|
0.868103215964E-07 0.925478237905E-07 0.986645312405E-07 0.105185506528E-06 0.112137468679E-06
|
|
0.119548902646E-06 0.127450176016E-06 0.135873663446E-06 0.144853879308E-06 0.154427619111E-06
|
|
0.164634110268E-06 0.175515172824E-06 0.187115390807E-06 0.199482294913E-06 0.212666557252E-06
|
|
0.226722198972E-06 0.241706811607E-06 0.257681793052E-06 0.274712599132E-06 0.292869011800E-06
|
|
0.312225425065E-06 0.332861149807E-06 0.354860738749E-06 0.378314332899E-06 0.403318030895E-06
|
|
0.429974282758E-06 0.458392309666E-06 0.488688551478E-06 0.520987143834E-06 0.555420426781E-06
|
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0.592129487023E-06 0.631264736009E-06 0.672986526221E-06 0.717465808204E-06 0.764884831007E-06
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0.815437888931E-06 0.869332117625E-06 0.926788342794E-06 0.988041985002E-06 0.105334402428E-05
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0.112296202849E-05 0.119718124962E-05 0.127630579260E-05 0.136065986130E-05 0.145058908691E-05
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0.154646194413E-05 0.164867126094E-05 0.175763582810E-05 0.187380211517E-05 0.199764609975E-05
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0.212967521777E-05 0.227043044263E-05 0.242048850171E-05 0.258046423942E-05 0.275101313641E-05
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0.293283399527E-05 0.312667180377E-05 0.333332078721E-05 0.355362766268E-05 0.378849510825E-05
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0.403888546150E-05 0.430582466246E-05 0.459040645715E-05 0.489379687895E-05 0.521723902608E-05
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0.556205815486E-05 0.592966710959E-05 0.632157211123E-05 0.673937892869E-05 0.718479945791E-05
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0.765965873582E-05 0.816590241775E-05 0.870560474901E-05 0.928097706331E-05 0.989437684283E-05
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0.105483173769E-04 0.112454780592E-04 0.119887153651E-04 0.127810745548E-04 0.136258021497E-04
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0.145263592330E-04 0.154864356297E-04 0.165099650233E-04 0.176011410715E-04 0.187644345866E-04
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0.200046118520E-04 0.213267541476E-04 0.227362785668E-04 0.242389602083E-04 0.258409558341E-04
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0.275488290910E-04 0.293695773984E-04 0.313106606130E-04 0.333800315865E-04 0.355861687432E-04
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0.379381108089E-04 0.404454938354E-04 0.431185906699E-04 0.459683530320E-04 0.490064563708E-04
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0.522453476847E-04 0.556982964999E-04 0.593794492167E-04 0.633038870442E-04 0.674876877630E-04
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0.719479915658E-04 0.767030712461E-04 0.817724070232E-04 0.871767663066E-04 0.929382887284E-04
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0.990805767894E-04 0.105628792490E-03 0.112609760341E-03 0.120052077173E-03 0.127986229193E-03
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0.136444716773E-03 0.145462187464E-03 0.155075577796E-03 0.165324264430E-03 0.176250225281E-03
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0.187898211276E-03 0.200315929432E-03 0.213554238014E-03 0.227667354557E-03 0.242713077610E-03
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0.258753023087E-03 0.275852876204E-03 0.294082660012E-03 0.313517021622E-03 0.334235537286E-03
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0.356323037561E-03 0.379869953893E-03 0.404972687997E-03 0.431734005559E-03 0.460263455820E-03
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0.490677818771E-03 0.523101581727E-03 0.557667447235E-03 0.594516874337E-03 0.633800655383E-03
|
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0.675679530692E-03 0.720324843555E-03 0.767919238169E-03 0.818657403329E-03 0.872746864825E-03
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0.930408829715E-03 0.991879085824E-03 0.105740896006E-02 0.112726633932E-02 0.120173675807E-02
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0.128112455678E-02 0.136575411599E-02 0.145597117055E-02 0.155214420945E-02 0.165466596657E-02
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0.176395500813E-02 0.188045742305E-02 0.200464862271E-02 0.213703525702E-02 0.227815725419E-02
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0.242858999183E-02 0.258894660779E-02 0.275988045927E-02 0.294208773952E-02 0.313631026183E-02
|
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0.334333842106E-02 0.356401434368E-02 0.379923523765E-02 0.404995695430E-02 0.431719777495E-02
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0.460204243562E-02 0.490564640401E-02 0.522924042337E-02 0.557413533899E-02 0.594172722343E-02
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0.633350281754E-02 0.675104530504E-02 0.719604043914E-02 0.767028304050E-02 0.817568388648E-02
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0.871427701248E-02 0.928822744662E-02 0.989983939984E-02 0.105515649340E-01 0.112460131309E-01
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0.119859597862E-01 0.127743576507E-01 0.136143472444E-01 0.145092682654E-01 0.154626716188E-01
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0.164783320865E-01 0.175602616614E-01 0.187127235655E-01 0.199402469723E-01 0.212476424481E-01
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0.226400181288E-01 0.241227966402E-01 0.257017327694E-01 0.273829318887E-01 0.291728691251E-01
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0.310784092640E-01 0.331068273659E-01 0.352658300625E-01 0.375635774904E-01 0.400087058016E-01
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0.426103501783E-01 0.453781682563E-01 0.483223638415E-01 0.514537107778E-01 0.547835767964E-01
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0.583239471410E-01 0.620874477284E-01 0.660873675580E-01 0.703376800369E-01 0.748530628298E-01
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0.796489157816E-01 0.847413763914E-01 0.901473322332E-01 0.958844296364E-01 0.101971077836E+00
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0.108426447694E+00 0.115270463978E+00 0.122523790032E+00 0.130207803561E+00 0.138344562044E+00
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0.146956756163E+00 0.156067649412E+00 0.165701001862E+00 0.175880975841E+00 0.186632021056E+00
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0.264495462795E+00 0.279916412671E+00 0.296091430118E+00 0.313037452008E+00 0.330768706697E+00
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0.349296143245E+00 0.368626794402E+00 0.388763069619E+00 0.409701974934E+00 0.431434257443E+00
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0.453943473248E+00 0.477204979292E+00 0.501184851521E+00 0.525838734319E+00 0.551110629317E+00
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0.576931635480E+00 0.603218657036E+00 0.629873101284E+00 0.656779594748E+00 0.683804753634E+00
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0.710796052969E+00 0.737580848363E+00 0.763965614734E+00 0.789735477573E+00 0.814654124055E+00
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0.838464193103E+00 0.860888254792E+00 0.881630499402E+00 0.900379263872E+00 0.916810526969E+00
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0.930592502335E+00 0.941391448517E+00 0.948878794589E+00 0.952739645890E+00 0.952682683520E+00
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0.948451399955E+00 0.939836517910E+00 0.926689317344E+00 0.908935443938E+00 0.886588590926E+00
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0.859763236765E+00 0.828685389417E+00 0.793700045084E+00 0.755273832727E+00 0.713991112270E+00
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0.670541660888E+00 0.625698066881E+00 0.580281115183E+00 0.535111864748E+00 0.490949865576E+00
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0.448418123055E+00 0.407916742326E+00 0.369578077146E+00 0.333456571820E+00 0.299595623605E+00
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0.268013866419E+00 0.238706722014E+00 0.211648221870E+00 0.186793086209E+00 0.164079011179E+00
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0.143429081820E+00 0.124754214631E+00 0.107955542172E+00 0.929266773937E-01 0.795558241981E-01
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0.677277223858E-01 0.573254267313E-01 0.482319229867E-01 0.403315819915E-01 0.335114505382E-01
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0.276623758919E-01 0.226799609463E-01 0.184653485664E-01 0.149258364118E-01 0.119753266841E-01
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0.953461834249E-02 0.753155188536E-02 0.590101874989E-02 0.458484878070E-02 0.353159030915E-02
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0.104327717905E-03 0.707873189123E-04 0.474129290845E-04 0.313354354175E-04
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|
ae wavefunction
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0.958110997900E+00 0.102085222404E+01 0.108068814262E+01 0.113723659318E+01 0.119013099605E+01
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0.123902886258E+01 0.128361699635E+01 0.132361460091E+01 0.135877575602E+01 0.138889195380E+01
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0.678686762411E+00 0.629473665263E+00 0.581643076730E+00 0.535404920577E+00 0.490940653690E+00
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0.448403116538E+00 0.407916742326E+00 0.369578077146E+00 0.333456571820E+00 0.299595623605E+00
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0.268013866419E+00 0.238706722014E+00 0.211648221870E+00 0.186793086209E+00 0.164079011179E+00
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0.953461834249E-02 0.753155188536E-02 0.590101874989E-02 0.458484878070E-02 0.353159030915E-02
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0.104327717905E-03 0.707873189123E-04 0.474129290845E-04 0.313354354175E-04
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|
pseudo wavefunction
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0.114357856149E+00 0.153378385531E+00 0.196608914856E+00 0.244159563028E+00 0.296082896935E+00
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0.352361168861E+00 0.412893033444E+00 0.477480251982E+00 0.545815079963E+00 0.617469249414E+00
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0.691885695504E+00 0.768374426155E+00 0.846114177110E+00 0.924161707434E+00 0.100147073619E+01
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0.107692255335E+01 0.114937019767E+01 0.121777590195E+01 0.128146380682E+01 0.133983083971E+01
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0.139225799523E+01 0.143811017074E+01 0.147673655800E+01 0.150747217286E+01 0.152964110359E+01
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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
|
|
ae wavefunction
|
|
0.153439850223E-05 0.162621488019E-05 0.172314042090E-05 0.182548279514E-05 0.193356727473E-05
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0.204773781328E-05 0.216835819950E-05 0.229581327060E-05 0.243051020894E-05 0.257287990433E-05
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0.272337841417E-05 0.288248850215E-05 0.305072127347E-05 0.322861791058E-05 0.341675152220E-05
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0.361572908788E-05 0.382619355125E-05 0.404882601061E-05 0.428434807311E-05 0.453352433669E-05
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0.479716503600E-05 0.507612884822E-05 0.537132587610E-05 0.568372081932E-05 0.601433633684E-05
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0.636425662926E-05 0.673463123869E-05 0.712667908930E-05 0.754169278305E-05 0.798104316299E-05
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0.844618416606E-05 0.893865797984E-05 0.946010052608E-05 0.100122472888E-04 0.105969395122E-04
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0.112161307890E-04 0.118718940672E-04 0.125664290990E-04 0.133020703634E-04 0.140812954900E-04
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0.149067342182E-04 0.157811779250E-04 0.167075897581E-04 0.176891154133E-04 0.187290945971E-04
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0.198310732187E-04 0.209988163580E-04 0.222363220583E-04 0.235478359990E-04 0.249378671007E-04
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0.264112041250E-04 0.279729333338E-04 0.296284572695E-04 0.313835147343E-04 0.332442020417E-04
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0.352169956229E-04 0.373087760674E-04 0.395268537024E-04 0.418789957926E-04 0.443734554750E-04
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0.470190025338E-04 0.498249561316E-04 0.528012196190E-04 0.559583175562E-04 0.593074350906E-04
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0.628604598209E-04 0.666300263262E-04 0.706295635137E-04 0.748733449602E-04 0.793765424429E-04
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0.841552828533E-04 0.892267087039E-04 0.946090424503E-04 0.100321654875E-03 0.106385137768E-03
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0.112821381182E-03 0.119653655548E-03 0.126906698925E-03 0.134606809733E-03 0.142781945291E-03
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0.151461826486E-03 0.160678049019E-03 0.170464201522E-03 0.180855991085E-03 0.191891376540E-03
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0.203610709984E-03 0.216056887133E-03 0.229275506901E-03 0.243315040811E-03 0.258227012871E-03
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0.274066190468E-03 0.290890786927E-03 0.308762676483E-03 0.327747622342E-03 0.347915518610E-03
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0.369340646867E-03 0.392101948298E-03 0.416283312198E-03 0.441973881850E-03 0.469268378691E-03
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0.498267445901E-03 0.529078012395E-03 0.561813678445E-03 0.596595124082E-03 0.633550541543E-03
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0.672816093090E-03 0.714536395572E-03 0.758865033142E-03 0.805965099681E-03 0.856009772464E-03
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0.909182918702E-03 0.965679736690E-03 0.102570743331E-02 0.108948593975E-02 0.115724866735E-02
|
|
0.122924330555E-02 0.130573266398E-02 0.138699556091E-02 0.147332776007E-02 0.156504295833E-02
|
|
0.166247382631E-02 0.176597310455E-02 0.187591475742E-02 0.199269518756E-02 0.211673451300E-02
|
|
0.224847790995E-02 0.238839702347E-02 0.253699144892E-02 0.269479028666E-02 0.286235377263E-02
|
|
0.304027498743E-02 0.322918164647E-02 0.342973797359E-02 0.364264666069E-02 0.386865091551E-02
|
|
0.410853659987E-02 0.436313446024E-02 0.463332245256E-02 0.492002816268E-02 0.522423132385E-02
|
|
0.554696643213E-02 0.588932546013E-02 0.625246066940E-02 0.663758752082E-02 0.704598768215E-02
|
|
0.747901213094E-02 0.793808435052E-02 0.842470361576E-02 0.894044836434E-02 0.948697964856E-02
|
|
0.100660446610E-01 0.106794803264E-01 0.113292169516E-01 0.120172819206E-01 0.127458034252E-01
|
|
0.135170142155E-01 0.143332553530E-01 0.151969799500E-01 0.161107568724E-01 0.170772743835E-01
|
|
0.180993437003E-01 0.191799024355E-01 0.203220178894E-01 0.215288901561E-01 0.228038550042E-01
|
|
0.241503864852E-01 0.255720992222E-01 0.270727503249E-01 0.286562408696E-01 0.303266168836E-01
|
|
0.320880697601E-01 0.339449360311E-01 0.359016964141E-01 0.379629740449E-01 0.401335318010E-01
|
|
0.424182686141E-01 0.448222146608E-01 0.473505253171E-01 0.500084737504E-01 0.528014420187E-01
|
|
0.557349105377E-01 0.588144457689E-01 0.620456859754E-01 0.654343248838E-01 0.689860930857E-01
|
|
0.727067370048E-01 0.766019952503E-01 0.806775721733E-01 0.849391084390E-01 0.893921484250E-01
|
|
0.940421042547E-01 0.988942162767E-01 0.103953509803E+00 0.109224747922E+00 0.114712380217E+00
|
|
0.120420487217E+00 0.126352720439E+00 0.132512237879E+00 0.138901634852E+00 0.145522870070E+00
|
|
0.152377186936E+00 0.159465029994E+00 0.166785956580E+00 0.174338543730E+00 0.182120290461E+00
|
|
0.190127515603E+00 0.198355251440E+00 0.206797133463E+00 0.215445286670E+00 0.224290208906E+00
|
|
0.233320651865E+00 0.242523500497E+00 0.251883651687E+00 0.261383893221E+00 0.271004784172E+00
|
|
0.280724537984E+00 0.290518909603E+00 0.300361088026E+00 0.310221595578E+00 0.320068195021E+00
|
|
0.329865805341E+00 0.339576426637E+00 0.349159074271E+00 0.358569722473E+00 0.367761257953E+00
|
|
0.376683445228E+00 0.385282907009E+00 0.393503124951E+00 0.401284467846E+00 0.408564255482E+00
|
|
0.415276866395E+00 0.421353896468E+00 0.426724372744E+00 0.431315023443E+00 0.435050602186E+00
|
|
0.437854262757E+00 0.439647981011E+00 0.440353022298E+00 0.439890454281E+00 0.438181706140E+00
|
|
0.435149174988E+00 0.430716879462E+00 0.424811159488E+00 0.417361420257E+00 0.408300917691E+00
|
|
0.397567582201E+00 0.385104876860E+00 0.370862685687E+00 0.354798226886E+00 0.336876985068E+00
|
|
0.317073655490E+00 0.295373092118E+00 0.271771250043E+00 0.246276111400E+00 0.218908582351E+00
|
|
0.189703347347E+00 0.158709665356E+00 0.125992091641E+00 0.916311079505E-01 0.557236437097E-01
|
|
0.183834714700E-01 -0.202585388948E-01 -0.600543209727E-01 -0.100838679841E+00 -0.142429539745E+00
|
|
-0.184628387440E+00 -0.227220936121E+00 -0.269978049160E+00 -0.312656976556E+00 -0.355002953871E+00
|
|
-0.396751155015E+00 -0.437628833064E+00 -0.477357226860E+00 -0.515652595834E+00 -0.552225921813E+00
|
|
-0.586781662697E+00 -0.619017196531E+00 -0.648625053771E+00 -0.675298457800E+00 -0.698738151875E+00
|
|
-0.718657978606E+00 -0.734788488108E+00 -0.746879365976E+00 -0.754701569786E+00 -0.758049570388E+00
|
|
-0.756743717855E+00 -0.750632583445E+00 -0.739595091906E+00 -0.723542285342E+00 -0.702418625057E+00
|
|
-0.676202798111E+00 -0.644908047847E+00 -0.608582074001E+00 -0.567306562981E+00 -0.521196409036E+00
|
|
-0.470398687462E+00 -0.415091436265E+00 -0.355482294946E+00 -0.291807047170E+00 -0.224328104838E+00
|
|
-0.153332969296E+00 -0.791326984631E-01 -0.206040810010E-02 0.775301669493E-01 0.159266024353E+00
|
|
0.242756130380E+00 0.327592510530E+00 0.413351165363E+00 0.499592786951E+00 0.585863260571E+00
|
|
0.671693953609E+00 0.756601812736E+00 0.840089312022E+00 0.921644310624E+00 0.100073988069E+01
|
|
0.107683415354E+01 0.114937019767E+01 0.121777590195E+01 0.128146380682E+01 0.133983083971E+01
|
|
0.139225799523E+01 0.143811017074E+01 0.147673655800E+01 0.150747217286E+01 0.152964110359E+01
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
pseudo wavefunction
|
|
0.425651899470E-12 0.468540186333E-12 0.515749856817E-12 0.567716329487E-12 0.624918895275E-12
|
|
0.687885138018E-12 0.757195800405E-12 0.833490140215E-12 0.917471826240E-12 0.100991542828E-11
|
|
0.111167356106E-11 0.122368474798E-11 0.134698207714E-11 0.148270272967E-11 0.163209846797E-11
|
|
0.179654718088E-11 0.197756559198E-11 0.217682324853E-11 0.239615791979E-11 0.263759254693E-11
|
|
0.290335390076E-11 0.319589311944E-11 0.351790831548E-11 0.387236946069E-11 0.426254577845E-11
|
|
0.469203589599E-11 0.516480103484E-11 0.568520154548E-11 0.625803712321E-11 0.688859107607E-11
|
|
0.758267905327E-11 0.834670268332E-11 0.918770861679E-11 0.101134535181E-10 0.111324756058E-10
|
|
0.122541734014E-10 0.134888924124E-10 0.148480205498E-10 0.163440931599E-10 0.179909086384E-10
|
|
0.198036556945E-10 0.217990534370E-10 0.239955055763E-10 0.264132701633E-10 0.290746464305E-10
|
|
0.320041804601E-10 0.352288915737E-10 0.387785215341E-10 0.426858088556E-10 0.469867907537E-10
|
|
0.517211355191E-10 0.569325083812E-10 0.626689742357E-10 0.689834409508E-10 0.759341473402E-10
|
|
0.835852003036E-10 0.920071660899E-10 0.101277721134E-09 0.111482368472E-09 0.122715226343E-09
|
|
0.135079896245E-09 0.148690418464E-09 0.163672323868E-09 0.180163791693E-09 0.198316923976E-09
|
|
0.218299148402E-09 0.240294762501E-09 0.264506633435E-09 0.291158069055E-09 0.320494877483E-09
|
|
0.352787634214E-09 0.388334177647E-09 0.427462356071E-09 0.470533051423E-09 0.517943507722E-09
|
|
0.570130994872E-09 0.627576841623E-09 0.690810874886E-09 0.760416306357E-09 0.837035111497E-09
|
|
0.921373950498E-09 0.101421068584E-08 0.111640155654E-08 0.122888907526E-08 0.135271072117E-08
|
|
0.148900850859E-08 0.163903951984E-08 0.180418749932E-08 0.198597561583E-08 0.218608051074E-08
|
|
0.240634776166E-08 0.264880890422E-08 0.291570016889E-08 0.320948310573E-08 0.353286728718E-08
|
|
0.388883529844E-08 0.428067024567E-08 0.471198603606E-08 0.518676070863E-08 0.570937312351E-08
|
|
0.628464334787E-08 0.691787711105E-08 0.761491473885E-08 0.838218501829E-08 0.922676448965E-08
|
|
0.101564427125E-07 0.111797941080E-07 0.123062570390E-07 0.135462208592E-07 0.149111217319E-07
|
|
0.164135481037E-07 0.180673568048E-07 0.198878008478E-07 0.218916701018E-07 0.240974461412E-07
|
|
0.265254726959E-07 0.291981432742E-07 0.321401076911E-07 0.353784994038E-07 0.389431857528E-07
|
|
0.428670434149E-07 0.471862616094E-07 0.519406758528E-07 0.571741353396E-07 0.629349073378E-07
|
|
0.692761223270E-07 0.762562639844E-07 0.839397085373E-07 0.923973184534E-07 0.101707095947E-06
|
|
0.111954902320E-06 0.123235249780E-06 0.135652173027E-06 0.149320188651E-06 0.164365351176E-06
|
|
0.180926415506E-06 0.199156116471E-06 0.219222577273E-06 0.241310859825E-06 0.265624671268E-06
|
|
0.292388242395E-06 0.321848395305E-06 0.354276819337E-06 0.389972576263E-06 0.429264857841E-06
|
|
0.472516021128E-06 0.520124929528E-06 0.572530630380E-06 0.630216402949E-06 0.693714214146E-06
|
|
0.763609623011E-06 0.840547179156E-06 0.925236364899E-06 0.101845813582E-05 0.112107212002E-05
|
|
0.123402454229E-05 0.135835694634E-05 0.149521579524E-05 0.164586303852E-05 0.181168774332E-05
|
|
0.199421889646E-05 0.219513949548E-05 0.241630205819E-05 0.265974569343E-05 0.292771489027E-05
|
|
0.322268019827E-05 0.354736098914E-05 0.390475050912E-05 0.429814345226E-05 0.473116630821E-05
|
|
0.520781076336E-05 0.573247046212E-05 0.630998146613E-05 0.694566678286E-05 0.764538537228E-05
|
|
0.841558608162E-05 0.926336700262E-05 0.101965407961E-04 0.112237065820E-04 0.123543290551E-04
|
|
0.135988255485E-04 0.149686618458E-04 0.164764576141E-04 0.181361024269E-04 0.199628834338E-04
|
|
0.219736258453E-04 0.241868475150E-04 0.266229290288E-04 0.293043008537E-04 0.322556492484E-04
|
|
0.355041428134E-04 0.390796817379E-04 0.430151720105E-04 0.473468270819E-04 0.521144997149E-04
|
|
0.573620470271E-04 0.631377320302E-04 0.694946652912E-04 0.764912907019E-04 0.841919197326E-04
|
|
0.926673189745E-04 0.101995356247E-03 0.112261711061E-03 0.123560655793E-03 0.135995914546E-03
|
|
0.149681607340E-03 0.164743288035E-03 0.181319085172E-03 0.199560955830E-03 0.219636063535E-03
|
|
0.241728292350E-03 0.266039910376E-03 0.292793397211E-03 0.322233451228E-03 0.354629194060E-03
|
|
0.390276591294E-03 0.429501110129E-03 0.472660636688E-03 0.520148677748E-03 0.572397873896E-03
|
|
0.629883853568E-03 0.693129460086E-03 0.762709386611E-03 0.839255257048E-03 0.923461194208E-03
|
|
0.101608992010E-02 0.111797943700E-02 0.123005034206E-02 0.135331383243E-02 0.148888046260E-02
|
|
0.163796972051E-02 0.180192049388E-02 0.198220250405E-02 0.218042878971E-02 0.239836932922E-02
|
|
0.263796589577E-02 0.290134824616E-02 0.319085174985E-02 0.350903657127E-02 0.385870852428E-02
|
|
0.424294172354E-02 0.466510316276E-02 0.512887935449E-02 0.563830517008E-02 0.619779502076E-02
|
|
0.681217652220E-02 0.748672678390E-02 0.822721146129E-02 0.903992670240E-02 0.993174411043E-02
|
|
0.109101588289E-01 0.119833408361E-01 0.131601895077E-01 0.144503914732E-01 0.158644817443E-01
|
|
0.174139080425E-01 0.191110981795E-01 0.209695302635E-01 0.230038054018E-01 0.252297224479E-01
|
|
0.276643541940E-01 0.303261242400E-01 0.332348835645E-01 0.364119855839E-01 0.398803582118E-01
|
|
0.436645711080E-01 0.477908959393E-01 0.522873570535E-01 0.571837694910E-01 0.625117607240E-01
|
|
0.683047719096E-01 0.745980337839E-01 0.814285115934E-01 0.888348126728E-01 0.968570494351E-01
|
|
0.105536649653E+00 0.114916104999E+00 0.125038647891E+00 0.135947845822E+00 0.147687101506E+00
|
|
0.160299046564E+00 0.173824815932E+00 0.188303190080E+00 0.203769592350E+00 0.220254929570E+00
|
|
0.237784265628E+00 0.256375320207E+00 0.276036788493E+00 0.296766482745E+00 0.318549303363E+00
|
|
0.341355055827E+00 0.365136140966E+00 0.389825159576E+00 0.415332488927E+00 0.441543908035E+00
|
|
0.468318371008E+00 0.495486052843E+00 0.522846819464E+00 0.550169302368E+00 0.577190786705E+00
|
|
0.603618147621E+00 0.629130090221E+00 0.653380959522E+00 0.676006382972E+00 0.696630983102E+00
|
|
0.714878343957E+00 0.730383323390E+00 0.742806664866E+00 0.751851667859E+00 0.757282417557E+00
|
|
0.758942747746E+00 0.756774716621E+00 0.750834923799E+00 0.741306511146E+00 0.728504210870E+00
|
|
0.712869394903E+00 0.694951830475E+00 0.675374878039E+00 0.654781329245E+00 0.633758147112E+00
|
|
0.612740218989E+00 0.591901583224E+00 0.571239019301E+00 0.550774067649E+00 0.530527704087E+00
|
|
0.510516418152E+00 0.490753025390E+00 0.471247615592E+00 0.452008507828E+00 0.433043126694E+00
|
|
0.414358748332E+00 0.395963105469E+00 0.377864861504E+00 0.360073970287E+00 0.342601933536E+00
|
|
0.325461959624E+00 0.308669015467E+00 0.292239758303E+00 0.276192328918E+00 0.260545999053E+00
|
|
0.245320675653E+00 0.230536286555E+00 0.216212091256E+00 0.202365974995E+00 0.189013791412E+00
|
|
0.176168812252E+00 0.163841330757E+00 0.152038444285E+00 0.140764015824E+00 0.130018832695E+00
|
|
0.119800861788E+00 0.110105646304E+00 0.100926743230E+00 0.922561722859E-01 0.840848291611E-01
|
|
0.764028249098E-01 0.691997247269E-01 0.624646737972E-01 0.561864138687E-01
|
|
ae wavefunction
|
|
0.127888298192E-09 0.140070296992E-09 0.153284467912E-09 0.167628665220E-09 0.183209243702E-09
|
|
0.200141867411E-09 0.218552392473E-09 0.238577827355E-09 0.260367382362E-09 0.284083611745E-09
|
|
0.309903663591E-09 0.338020642102E-09 0.368645095832E-09 0.402006643401E-09 0.438355751582E-09
|
|
0.477965673671E-09 0.521134575856E-09 0.568187853176E-09 0.619480669637E-09 0.675400730865E-09
|
|
0.736371319581E-09 0.802854614646E-09 0.875355322982E-09 0.954424654336E-09 0.104066466831E-08
|
|
0.113473303538E-08 0.123734824548E-08 0.134929531066E-08 0.147143200869E-08 0.160469571826E-08
|
|
0.175011090448E-08 0.190879731555E-08 0.208197896064E-08 0.227099394281E-08 0.247730523094E-08
|
|
0.270251246005E-08 0.294836486031E-08 0.321677542348E-08 0.350983642666E-08 0.382983644493E-08
|
|
0.417927899724E-08 0.456090298385E-08 0.497770508964E-08 0.543296434396E-08 0.593026904710E-08
|
|
0.647354629304E-08 0.706709434275E-08 0.771561812297E-08 0.842426815943E-08 0.919868327472E-08
|
|
0.100450374214E-07 0.109700910553E-07 0.119812474871E-07 0.130866147049E-07 0.142950731998E-07
|
|
0.156163503836E-07 0.170611022380E-07 0.186410029152E-07 0.203688430546E-07 0.222586376800E-07
|
|
0.243257446138E-07 0.265869944365E-07 0.290608331251E-07 0.317674786150E-07 0.347290926582E-07
|
|
0.379699694574E-07 0.415167427502E-07 0.453986131385E-07 0.496475976484E-07 0.542988037147E-07
|
|
0.593907299820E-07 0.649655965553E-07 0.710697075892E-07 0.777538494078E-07 0.850737276205E-07
|
|
0.930904470791E-07 0.101871038892E-06 0.111489039079E-06 0.122025123980E-06 0.133567807984E-06
|
|
0.146214209622E-06 0.160070892896E-06 0.175254790986E-06 0.191894220692E-06 0.210129996294E-06
|
|
0.230116652587E-06 0.252023788031E-06 0.276037539465E-06 0.302362201413E-06 0.331222004244E-06
|
|
0.362863066563E-06 0.397555538889E-06 0.435595957464E-06 0.477309828594E-06 0.523054466102E-06
|
|
0.573222106503E-06 0.628243329183E-06 0.688590811127E-06 0.754783448923E-06 0.827390883661E-06
|
|
0.907038468139E-06 0.994412719134E-06 0.109026730205E-05 0.119542959950E-05 0.131080792050E-05
|
|
0.143739941229E-05 0.157629874295E-05 0.172870762901E-05 0.189594529007E-05 0.207945991963E-05
|
|
0.228084127011E-05 0.250183445933E-05 0.274435511599E-05 0.301050599253E-05 0.330259518626E-05
|
|
0.362315612270E-05 0.397496946966E-05 0.436108716636E-05 0.478485876922E-05 0.524996033525E-05
|
|
0.576042608314E-05 0.632068309661E-05 0.693558935755E-05 0.761047542387E-05 0.835119009477E-05
|
|
0.916415044105E-05 0.100563966076E-04 0.110356518376E-04 0.121103882055E-04 0.132898985918E-04
|
|
0.145843754796E-04 0.160049972079E-04 0.175640223696E-04 0.192748931078E-04 0.211523481289E-04
|
|
0.232125463240E-04 0.254732019687E-04 0.279537325594E-04 0.306754204311E-04 0.336615894078E-04
|
|
0.369377978407E-04 0.405320495082E-04 0.444750239755E-04 0.488003281522E-04 0.535447709276E-04
|
|
0.587486629252E-04 0.644561435870E-04 0.707155379814E-04 0.775797459240E-04 0.851066662130E-04
|
|
0.933596590066E-04 0.102408049613E-03 0.112327677219E-03 0.123201492370E-03 0.135120207293E-03
|
|
0.148183003487E-03 0.162498301337E-03 0.178184596842E-03 0.195371370968E-03 0.214200077486E-03
|
|
0.234825215631E-03 0.257415494318E-03 0.282155095139E-03 0.309245041881E-03 0.338904684771E-03
|
|
0.371373308242E-03 0.406911871543E-03 0.445804892122E-03 0.488362482284E-03 0.534922550293E-03
|
|
0.585853177664E-03 0.641555185089E-03 0.702464900082E-03 0.769057140072E-03 0.841848425362E-03
|
|
0.921400437018E-03 0.100832373538E-02 0.110328175550E-02 0.120699509648E-02 0.132024612203E-02
|
|
0.144388389038E-02 0.157882943165E-02 0.172608139161E-02 0.188672206066E-02 0.206192380699E-02
|
|
0.225295593305E-02 0.246119197409E-02 0.268811745717E-02 0.293533813845E-02 0.320458873575E-02
|
|
0.349774217203E-02 0.381681934435E-02 0.416399943057E-02 0.454163074423E-02 0.495224214516E-02
|
|
0.539855501029E-02 0.588349576544E-02 0.641020897474E-02 0.698207097913E-02 0.760270407020E-02
|
|
0.827599117913E-02 0.900609105345E-02 0.979745388650E-02 0.106548373557E-01 0.115833230164E-01
|
|
0.125883329866E-01 0.136756468489E-01 0.148514186796E-01 0.161221941078E-01 0.174949272880E-01
|
|
0.189769976609E-01 0.205762263597E-01 0.223008921074E-01 0.241597464373E-01 0.261620280521E-01
|
|
0.283174761259E-01 0.306363423311E-01 0.331294013470E-01 0.358079595676E-01 0.386838616635E-01
|
|
0.417694945697E-01 0.450777883517E-01 0.486222132664E-01 0.524167722146E-01 0.564759876894E-01
|
|
0.608148823365E-01 0.654489523801E-01 0.703941334284E-01 0.756667585307E-01 0.812835087332E-01
|
|
0.872613566791E-01 0.936175039139E-01 0.100369312400E+00 0.107534230278E+00 0.115129711316E+00
|
|
0.123173126996E+00 0.131681669991E+00 0.140672248081E+00 0.150161367914E+00 0.160165008473E+00
|
|
0.170698484329E+00 0.181776298827E+00 0.193411987321E+00 0.205617950599E+00 0.218405278654E+00
|
|
0.231783565140E+00 0.245760713079E+00 0.260342732690E+00 0.275533532568E+00 0.291334705840E+00
|
|
0.307745313385E+00 0.324761666648E+00 0.342377113068E+00 0.360581827609E+00 0.379362614257E+00
|
|
0.398702721654E+00 0.418581677132E+00 0.438975143176E+00 0.459854799961E+00 0.481188256703E+00
|
|
0.502938993660E+00 0.525066335877E+00 0.547525459947E+00 0.570267437239E+00 0.593239322952E+00
|
|
0.616384310892E+00 0.639641989941E+00 0.662948756698E+00 0.686238446244E+00 0.709443218032E+00
|
|
0.732494622728E+00 0.755324547148E+00 0.777865421575E+00 0.800048914409E+00 0.821802759827E+00
|
|
0.843046586627E+00 0.863689104541E+00 0.883629188272E+00 0.902761008067E+00 0.920980207083E+00
|
|
0.938187959696E+00 0.954292351157E+00 0.969208364163E+00 0.982857700446E+00 0.995168956624E+00
|
|
0.100607819320E+01 0.101552973979E+01 0.102347704127E+01 0.102988337804E+01 0.103472236129E+01
|
|
0.103797816267E+01 0.103964548942E+01 0.103972933781E+01 0.103824456972E+01 0.103521535323E+01
|
|
0.103067450638E+01 0.102466277829E+01 0.101722809132E+01 0.100842476956E+01 0.998312766215E+00
|
|
0.986956905186E+00 0.974426139585E+00 0.960792832310E+00 0.946132054812E+00 0.930520902044E+00
|
|
0.914037817961E+00 0.896761929893E+00 0.878772392282E+00 0.860147747642E+00 0.840965316189E+00
|
|
0.821300634380E+00 0.801226961867E+00 0.780814875545E+00 0.760131961134E+00 0.739242597187E+00
|
|
0.718207810135E+00 0.697085158531E+00 0.675928594639E+00 0.654788252853E+00 0.633710138104E+00
|
|
0.612735730821E+00 0.591901583224E+00 0.571239019301E+00 0.550774067649E+00 0.530527704087E+00
|
|
0.510516418152E+00 0.490753025390E+00 0.471247615592E+00 0.452008507828E+00 0.433043126694E+00
|
|
0.414358748332E+00 0.395963105469E+00 0.377864861504E+00 0.360073970287E+00 0.342601933536E+00
|
|
0.325461959624E+00 0.308669015467E+00 0.292239758303E+00 0.276192328918E+00 0.260545999053E+00
|
|
0.245320675653E+00 0.230536286555E+00 0.216212091256E+00 0.202365974995E+00 0.189013791412E+00
|
|
0.176168812252E+00 0.163841330757E+00 0.152038444285E+00 0.140764015824E+00 0.130018832695E+00
|
|
0.119800861788E+00 0.110105646304E+00 0.100926743230E+00 0.922561722859E-01 0.840848291611E-01
|
|
0.764028249098E-01 0.691997247269E-01 0.624646737972E-01 0.561864138687E-01
|
|
pseudo wavefunction
|
|
0.492988761418E-12 0.542661847441E-12 0.597339947093E-12 0.657527360859E-12 0.723779202067E-12
|
|
0.796706516745E-12 0.876981919343E-12 0.965345796317E-12 0.106261313476E-11 0.116968103911E-11
|
|
0.128753700521E-11 0.141726802803E-11 0.156007062716E-11 0.171726188238E-11 0.189029158118E-11
|
|
0.208075559028E-11 0.229041057444E-11 0.252119019830E-11 0.277522296075E-11 0.305485182620E-11
|
|
0.336265583397E-11 0.370147388496E-11 0.407443092504E-11 0.448496676671E-11 0.493686781471E-11
|
|
0.543430198839E-11 0.598185716268E-11 0.658458348253E-11 0.724803994067E-11 0.797834564875E-11
|
|
0.878223627429E-11 0.966712616434E-11 0.106411767286E-10 0.117133717125E-10 0.128936000554E-10
|
|
0.141927470968E-10 0.156227949726E-10 0.171969331274E-10 0.189296799616E-10 0.208370167361E-10
|
|
0.229365349683E-10 0.252475986802E-10 0.277915229941E-10 0.305917707240E-10 0.336741687742E-10
|
|
0.370671463437E-10 0.408019971299E-10 0.449131679535E-10 0.494385764638E-10 0.544199608557E-10
|
|
0.599032648246E-10 0.659390613084E-10 0.725830189252E-10 0.798964154091E-10 0.879467027795E-10
|
|
0.968081294551E-10 0.106562425053E-09 0.117299554187E-09 0.129118546217E-09 0.142128408603E-09
|
|
0.156449132290E-09 0.172212798391E-09 0.189564796381E-09 0.208665165033E-09 0.229690068467E-09
|
|
0.252833420923E-09 0.278308675240E-09 0.306350791554E-09 0.337218404339E-09 0.371196207816E-09
|
|
0.408597581700E-09 0.449767481521E-09 0.495085620167E-09 0.544969969996E-09 0.599880617818E-09
|
|
0.660324008297E-09 0.726857614914E-09 0.800095081573E-09 0.880711882262E-09 0.969451550980E-09
|
|
0.106713253938E-08 0.117465576537E-08 0.129301292233E-08 0.142329562548E-08 0.156670547996E-08
|
|
0.172456516317E-08 0.189833062390E-08 0.208960451056E-08 0.230015095243E-08 0.253191183021E-08
|
|
0.278702468601E-08 0.306784243787E-08 0.337695508074E-08 0.371721357391E-08 0.409175613540E-08
|
|
0.450403718559E-08 0.495785920728E-08 0.545740781578E-08 0.600729036265E-08 0.661257842898E-08
|
|
0.727885460030E-08 0.801226395423E-08 0.881957073607E-08 0.970822074468E-08 0.106864100042E-07
|
|
0.117631603552E-07 0.129484026614E-07 0.142530684009E-07 0.156891904851E-07 0.172700142362E-07
|
|
0.190101195458E-07 0.209255553424E-07 0.230339876064E-07 0.253548622988E-07 0.279095847060E-07
|
|
0.307217168537E-07 0.338171948120E-07 0.372245678937E-07 0.409752619538E-07 0.451038692166E-07
|
|
0.496484673041E-07 0.546509704066E-07 0.601575158355E-07 0.662188895208E-07 0.728909943787E-07
|
|
0.802353658672E-07 0.883197394835E-07 0.972186754369E-07 0.107014246257E-06 0.117796793674E-06
|
|
0.129665761761E-06 0.142730613999E-06 0.157111842745E-06 0.172942080391E-06 0.190367322471E-06
|
|
0.209548273979E-06 0.230661831326E-06 0.253902713587E-06 0.279485258076E-06 0.307645396807E-06
|
|
0.338642832058E-06 0.372763431085E-06 0.410321862073E-06 0.451664495601E-06 0.497172598384E-06
|
|
0.547265848699E-06 0.602406205926E-06 0.663102169826E-06 0.729913468833E-06 0.803456220540E-06
|
|
0.884408611936E-06 0.973517151719E-06 0.107160355228E-05 0.117957230477E-05 0.129841901697E-05
|
|
0.142923959085E-05 0.157324032423E-05 0.173174902958E-05 0.190622727245E-05 0.209828384198E-05
|
|
0.230968957773E-05 0.254239368902E-05 0.279854171725E-05 0.308049530625E-05 0.339085396257E-05
|
|
0.373247900605E-05 0.410851993057E-05 0.452244341780E-05 0.497806527022E-05 0.547958555725E-05
|
|
0.603162729725E-05 0.663927903070E-05 0.730814167574E-05 0.804438009599E-05 0.885477985424E-05
|
|
0.974680967251E-05 0.107286901715E-04 0.118094695199E-04 0.129991066862E-04 0.143085630567E-04
|
|
0.157499032583E-04 0.173364061081E-04 0.190826867065E-04 0.210048307885E-04 0.231205425623E-04
|
|
0.254493073841E-04 0.280125707550E-04 0.308339352714E-04 0.339393773247E-04 0.373574855233E-04
|
|
0.411197230054E-04 0.452607160285E-04 0.498185714555E-04 0.548352260173E-04 0.603568305180E-04
|
|
0.664341724584E-04 0.731231409011E-04 0.804852377701E-04 0.885881401972E-04 0.975063189753E-04
|
|
0.107321718675E-03 0.118124505529E-03 0.130013889773E-03 0.143099029801E-03 0.157500026184E-03
|
|
0.173349014409E-03 0.190791366022E-03 0.209987008809E-03 0.231111877673E-03 0.254359508961E-03
|
|
0.279942792237E-03 0.308095894792E-03 0.339076375674E-03 0.373167507548E-03 0.410680826451E-03
|
|
0.451958931356E-03 0.497378557488E-03 0.547353949549E-03 0.602340563382E-03 0.662839127201E-03
|
|
0.729400096314E-03 0.802628538280E-03 0.883189488711E-03 0.971813821439E-03 0.106930468052E-02
|
|
0.117654452564E-02 0.129450284675E-02 0.142424460845E-02 0.156693948946E-02 0.172387198781E-02
|
|
0.189645246787E-02 0.208622923100E-02 0.229490169794E-02 0.252433479691E-02 0.277657465841E-02
|
|
0.305386572389E-02 0.335866938262E-02 0.369368425751E-02 0.406186826756E-02 0.446646260093E-02
|
|
0.491101773869E-02 0.539942167476E-02 0.593593048218E-02 0.652520137924E-02 0.717232845098E-02
|
|
0.788288118155E-02 0.866294595048E-02 0.951917064022E-02 0.104588124932E-01 0.114897893421E-01
|
|
0.126207343189E-01 0.138610541186E-01 0.152209908632E-01 0.167116875635E-01 0.183452571226E-01
|
|
0.201348547548E-01 0.220947536086E-01 0.242404232795E-01 0.265886107725E-01 0.291574233257E-01
|
|
0.319664123265E-01 0.350366573454E-01 0.383908490616E-01 0.420533695703E-01 0.460503682252E-01
|
|
0.504098307859E-01 0.551616392000E-01 0.603376188429E-01 0.659715694763E-01 0.720992755438E-01
|
|
0.787584907147E-01 0.859888908016E-01 0.938319883247E-01 0.102331001070E+00 0.111530666007E+00
|
|
0.121476988912E+00 0.132216918979E+00 0.143797936686E+00 0.156267542167E+00 0.169672630471E+00
|
|
0.184058739395E+00 0.199469155106E+00 0.215943860757E+00 0.233518313743E+00 0.252222038422E+00
|
|
0.272077023181E+00 0.293095913915E+00 0.315280000577E+00 0.338616999721E+00 0.363078644254E+00
|
|
0.388618102263E+00 0.415167260094E+00 0.442633921154E+00 0.470898991431E+00 0.499813745539E+00
|
|
0.529197293179E+00 0.558834394837E+00 0.588473806673E+00 0.617827366513E+00 0.646570063863E+00
|
|
0.674341364070E+00 0.700748076471E+00 0.725369063699E+00 0.747762078128E+00 0.767472974195E+00
|
|
0.784047473572E+00 0.797045544141E+00 0.806058283970E+00 0.810726968890E+00 0.810763620502E+00
|
|
0.805972078717E+00 0.796268125218E+00 0.781696719286E+00 0.762443908970E+00 0.738840523653E+00
|
|
0.711354419556E+00 0.680567948206E+00 0.647137590056E+00 0.611733508378E+00 0.574958313120E+00
|
|
0.537246752356E+00 0.498756980635E+00 0.459442079596E+00 0.419261124042E+00 0.378167379809E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
0.149865781922E-09 0.164141247191E-09 0.179626262445E-09 0.196435498133E-09 0.214693586025E-09
|
|
0.234536066953E-09 0.256110425318E-09 0.279577214383E-09 0.305111286128E-09 0.332903129624E-09
|
|
0.363160335717E-09 0.396109193416E-09 0.431996433878E-09 0.471091135506E-09 0.513686807592E-09
|
|
0.560103661802E-09 0.610691103951E-09 0.665830447967E-09 0.725937892520E-09 0.791467770151E-09
|
|
0.862916104397E-09 0.940824499209E-09 0.102578439501E-08 0.111844172654E-08 0.121950201690E-08
|
|
0.132973595672E-08 0.144998550793E-08 0.158117058633E-08 0.172429637816E-08 0.188046134997E-08
|
|
0.205086602045E-08 0.223682256573E-08 0.243976534010E-08 0.266126239867E-08 0.290302812049E-08
|
|
0.316693703674E-08 0.345503898160E-08 0.376957569311E-08 0.411299900476E-08 0.448799078172E-08
|
|
0.489748477092E-08 0.534469055083E-08 0.583311978459E-08 0.636661500055E-08 0.694938114603E-08
|
|
0.758602018351E-08 0.828156902730E-08 0.904154114273E-08 0.987197217002E-08 0.107794699598E-07
|
|
0.117712694544E-07 0.128552928897E-07 0.140402158306E-07 0.153355396178E-07 0.167516708493E-07
|
|
0.183000085865E-07 0.199930400349E-07 0.218444455426E-07 0.238692138124E-07 0.260837683414E-07
|
|
0.285061061845E-07 0.311559502471E-07 0.340549164361E-07 0.372266971272E-07 0.406972625559E-07
|
|
0.444950818692E-07 0.486513657964E-07 0.532003330457E-07 0.581795027501E-07 0.636300155361E-07
|
|
0.695969860177E-07 0.761298898000E-07 0.832829883791E-07 0.911157956792E-07 0.996935902858E-07
|
|
0.109087977883E-06 0.119377508837E-06 0.130648356288E-06 0.142995060758E-06 0.156521347781E-06
|
|
0.171341025650E-06 0.187578971327E-06 0.205372212891E-06 0.224871118307E-06 0.246240700703E-06
|
|
0.269662051587E-06 0.295333914811E-06 0.323474414715E-06 0.354322953716E-06 0.388142296028E-06
|
|
0.425220855589E-06 0.465875208112E-06 0.510452849408E-06 0.559335223830E-06 0.612941049353E-06
|
|
0.671729968079E-06 0.736206554178E-06 0.806924713856E-06 0.884492515730E-06 0.969577493316E-06
|
|
0.106291246585E-05 0.116530192754E-05 0.127762906063E-05 0.140086343283E-05 0.153606944538E-05
|
|
0.168441560452E-05 0.184718469616E-05 0.202578495086E-05 0.222176229504E-05 0.243681379305E-05
|
|
0.267280239487E-05 0.293177311531E-05 0.321597078210E-05 0.352785950376E-05 0.387014402190E-05
|
|
0.424579312873E-05 0.465806534699E-05 0.511053708847E-05 0.560713352723E-05 0.615216244656E-05
|
|
0.675035134097E-05 0.740688808320E-05 0.812746549330E-05 0.891833017866E-05 0.978633604678E-05
|
|
0.107390029331E-04 0.117845808213E-04 0.129321201821E-04 0.141915490027E-04 0.155737571298E-04
|
|
0.170906886072E-04 0.187554427513E-04 0.205823847714E-04 0.225872668164E-04 0.247873604090E-04
|
|
0.272016013108E-04 0.298507479558E-04 0.327575546908E-04 0.359469611669E-04 0.394462993461E-04
|
|
0.432855197117E-04 0.474974384099E-04 0.521180071951E-04 0.571866082161E-04 0.627463758442E-04
|
|
0.688445479388E-04 0.755328491375E-04 0.828679089783E-04 0.909117178857E-04 0.997321243071E-04
|
|
0.109403376544E-03 0.120006713110E-03 0.131631005755E-03 0.144373459607E-03 0.158340375249E-03
|
|
0.173647977894E-03 0.190423319241E-03 0.208805257984E-03 0.228945525411E-03 0.251009882992E-03
|
|
0.275179379337E-03 0.301651714454E-03 0.330642719770E-03 0.362387962947E-03 0.397144487155E-03
|
|
0.435192695078E-03 0.476838388586E-03 0.522414975702E-03 0.572285857181E-03 0.626847005770E-03
|
|
0.686529751923E-03 0.751803790557E-03 0.823180424155E-03 0.901216058333E-03 0.986515966743E-03
|
|
0.107973834295E-02 0.118159865771E-02 0.129287434070E-02 0.141440980659E-02 0.154712184581E-02
|
|
0.169200540114E-02 0.185013975142E-02 0.202269512458E-02 0.221093976185E-02 0.241624745560E-02
|
|
0.264010558309E-02 0.288412365803E-02 0.315004242163E-02 0.343974349385E-02 0.375525960480E-02
|
|
0.409878542466E-02 0.447268900891E-02 0.487952387345E-02 0.532204171162E-02 0.580320576199E-02
|
|
0.632620483200E-02 0.689446797844E-02 0.751167984045E-02 0.818179661529E-02 0.890906266041E-02
|
|
0.969802769792E-02 0.105535645896E-01 0.114808876406E-01 0.124855713812E-01 0.135735697623E-01
|
|
0.147512356909E-01 0.160253408160E-01 0.174030954628E-01 0.188921685964E-01 0.205007076825E-01
|
|
0.222373582946E-01 0.241112833013E-01 0.261321814523E-01 0.283103051642E-01 0.306564772913E-01
|
|
0.331821066483E-01 0.358992020316E-01 0.388203844506E-01 0.419588972376E-01 0.453286136310E-01
|
|
0.489440413275E-01 0.528203233604E-01 0.569732345013E-01 0.614191722421E-01 0.661751413037E-01
|
|
0.712587306360E-01 0.766880820289E-01 0.824818497642E-01 0.886591511528E-01 0.952395082453E-01
|
|
0.102242781350E+00 0.109689095128E+00 0.117598757852E+00 0.125992173865E+00 0.134889748588E+00
|
|
0.144311784819E+00 0.154278368880E+00 0.164809245474E+00 0.175923680551E+00 0.187640312024E+00
|
|
0.199976988399E+00 0.212950595500E+00 0.226576871420E+00 0.240870209820E+00 0.255843451798E+00
|
|
0.271507666675E+00 0.287871922368E+00 0.304943046359E+00 0.322725378686E+00 0.341220518849E+00
|
|
0.360427069072E+00 0.380340376867E+00 0.400952280429E+00 0.422250860946E+00 0.444220206323E+00
|
|
0.466840191215E+00 0.490086278330E+00 0.513929345734E+00 0.538335544393E+00 0.563266189174E+00
|
|
0.588677685424E+00 0.614521492415E+00 0.640744125137E+00 0.667287198455E+00 0.694087524600E+00
|
|
0.721077287232E+00 0.748184334153E+00 0.775332652309E+00 0.802443097425E+00 0.829434421306E+00
|
|
0.856224509851E+00 0.882731477104E+00 0.908873896634E+00 0.934569264311E+00 0.959730281567E+00
|
|
0.984259975919E+00 0.100804841243E+01 0.103097396003E+01 0.105290928012E+01 0.107372853036E+01
|
|
0.109331208877E+01 0.111154814895E+01 0.112833268948E+01 0.114356925089E+01 0.115716912484E+01
|
|
0.116905199951E+01 0.117914687711E+01 0.118739303517E+01 0.119374083695E+01 0.119815227550E+01
|
|
0.120060120451E+01 0.120107326902E+01 0.119956557445E+01 0.119608614644E+01 0.119065322887E+01
|
|
0.118329446588E+01 0.117404600718E+01 0.116295156427E+01 0.115006144644E+01 0.113543159084E+01
|
|
0.111912260410E+01 0.110119881802E+01 0.108172736524E+01 0.106077727000E+01 0.103841855178E+01
|
|
0.101472133558E+01 0.989754967576E+00 0.963587137258E+00 0.936283016241E+00 0.907904427416E+00
|
|
0.878509067929E+00 0.848149807812E+00 0.816874084244E+00 0.784723401377E+00 0.751732928167E+00
|
|
0.717931169604E+00 0.683339667285E+00 0.647972679317E+00 0.611836797556E+00 0.574930491577E+00
|
|
0.537243616984E+00 0.498756980635E+00 0.459442079596E+00 0.419261124042E+00 0.378167379809E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
0.332367908736E-05 0.343175684537E-05 0.354334902302E-05 0.365856990053E-05 0.377753747422E-05
|
|
0.390037357738E-05 0.402720400501E-05 0.415815864266E-05 0.429337159946E-05 0.443298134541E-05
|
|
0.457713085324E-05 0.472596774481E-05 0.487964444228E-05 0.503831832421E-05 0.520215188674E-05
|
|
0.537131291000E-05 0.554597462991E-05 0.572631591563E-05 0.591252145271E-05 0.610478193224E-05
|
|
0.630329424615E-05 0.650826168880E-05 0.671989416525E-05 0.693840840615E-05 0.716402818974E-05
|
|
0.739698457103E-05 0.763751611839E-05 0.788586915789E-05 0.814229802559E-05 0.840706532796E-05
|
|
0.868044221087E-05 0.896270863724E-05 0.925415367377E-05 0.955507578700E-05 0.986578314894E-05
|
|
0.101865939527E-04 0.105178367384E-04 0.108598507295E-04 0.112129861804E-04 0.115776047352E-04
|
|
0.119540797975E-04 0.123427969138E-04 0.127441541675E-04 0.131585625870E-04 0.135864465666E-04
|
|
0.140282443012E-04 0.144844082348E-04 0.149554055244E-04 0.154417185180E-04 0.159438452488E-04
|
|
0.164622999454E-04 0.169976135583E-04 0.175503343036E-04 0.181210282249E-04 0.187102797727E-04
|
|
0.193186924031E-04 0.199468891961E-04 0.205955134936E-04 0.212652295582E-04 0.219567232541E-04
|
|
0.226707027491E-04 0.234078992403E-04 0.241690677032E-04 0.249549876646E-04 0.257664640016E-04
|
|
0.266043277659E-04 0.274694370349E-04 0.283626777914E-04 0.292849648306E-04 0.302372426975E-04
|
|
0.312204866546E-04 0.322357036813E-04 0.332839335053E-04 0.343662496679E-04 0.354837606241E-04
|
|
0.366376108786E-04 0.378289821582E-04 0.390590946227E-04 0.403292081157E-04 0.416406234557E-04
|
|
0.429946837686E-04 0.443927758654E-04 0.458363316625E-04 0.473268296503E-04 0.488657964086E-04
|
|
0.504548081715E-04 0.520954924433E-04 0.537895296676E-04 0.555386549500E-04 0.573446598379E-04
|
|
0.592093941575E-04 0.611347679111E-04 0.631227532368E-04 0.651753864311E-04 0.672947700387E-04
|
|
0.694830750097E-04 0.717425429277E-04 0.740754883108E-04 0.764843009872E-04 0.789714485492E-04
|
|
0.815394788875E-04 0.841910228077E-04 0.869287967329E-04 0.897556054955E-04 0.926743452192E-04
|
|
0.956880062964E-04 0.987996764631E-04 0.102012543975E-03 0.105329900887E-03 0.108755146440E-03
|
|
0.112291790565E-03 0.115943457492E-03 0.119713889487E-03 0.123606950705E-03 0.127626631181E-03
|
|
0.131777050940E-03 0.136062464247E-03 0.140487264008E-03 0.145055986298E-03 0.149773315057E-03
|
|
0.154644086932E-03 0.159673296279E-03 0.164866100344E-03 0.170227824598E-03 0.175763968268E-03
|
|
0.181480210044E-03 0.187382413977E-03 0.193476635580E-03 0.199769128130E-03 0.206266349188E-03
|
|
0.212974967335E-03 0.219901869137E-03 0.227054166350E-03 0.234439203368E-03 0.242064564929E-03
|
|
0.249938084080E-03 0.258067850425E-03 0.266462218649E-03 0.275129817344E-03 0.284079558141E-03
|
|
0.293320645161E-03 0.302862584798E-03 0.312715195850E-03 0.322888620008E-03 0.333393332715E-03
|
|
0.344240154424E-03 0.355440262258E-03 0.367005202087E-03 0.378946901059E-03 0.391277680582E-03
|
|
0.404010269792E-03 0.417157819525E-03 0.430733916809E-03 0.444752599918E-03 0.459228373985E-03
|
|
0.474176227237E-03 0.489611647852E-03 0.505550641477E-03 0.522009749459E-03 0.539006067788E-03
|
|
0.556557266832E-03 0.574681611862E-03 0.593397984455E-03 0.612725904778E-03 0.632685554835E-03
|
|
0.653297802720E-03 0.674584227927E-03 0.696567147790E-03 0.719269645117E-03 0.742715597083E-03
|
|
0.766929705474E-03 0.791937528350E-03 0.817765513233E-03 0.844441031910E-03 0.871992416956E-03
|
|
0.900449000101E-03 0.929841152559E-03 0.960200327459E-03 0.991559104522E-03 0.102395123715E-02
|
|
0.105741170210E-02 0.109197675191E-02 0.112768397034E-02 0.116457233100E-02 0.120268225942E-02
|
|
0.124205569883E-02 0.128273617999E-02 0.132476889529E-02 0.136820077758E-02 0.141308058401E-02
|
|
0.145945898534E-02 0.150738866122E-02 0.155692440179E-02 0.160812321636E-02 0.166104444953E-02
|
|
0.171574990554E-02 0.177230398159E-02 0.183077381073E-02 0.189122941540E-02 0.195374387232E-02
|
|
0.201839348999E-02 0.208525799968E-02 0.215442076133E-02 0.222596898558E-02 0.229999397348E-02
|
|
0.237659137542E-02 0.245586147114E-02 0.253790947263E-02 0.262284585227E-02 0.271078669821E-02
|
|
0.280185409992E-02 0.289617656643E-02 0.299388948048E-02 0.309513559190E-02 0.320006555397E-02
|
|
0.330883850675E-02 0.342162271189E-02 0.353859624376E-02 0.365994774228E-02 0.378587723326E-02
|
|
0.391659702275E-02 0.405233267236E-02 0.419332406332E-02 0.433982655769E-02 0.449211226609E-02
|
|
0.465047143184E-02 0.481521394291E-02 0.498667098356E-02 0.516519683912E-02 0.535117086840E-02
|
|
0.554499965950E-02 0.574711938661E-02 0.595799838649E-02 0.617813997555E-02 0.640808553001E-02
|
|
0.664841785379E-02 0.689976486101E-02 0.716280360231E-02 0.743826466692E-02 0.772693699490E-02
|
|
0.802967313747E-02 0.834739500595E-02 0.868110015388E-02 0.903186864006E-02 0.940087052463E-02
|
|
0.978937405408E-02 0.101987545958E-01 0.106305043872E-01 0.110862431699E-01 0.115677297832E-01
|
|
0.120768747981E-01 0.126157542782E-01 0.131866247568E-01 0.137919395305E-01 0.144343663688E-01
|
|
0.151168067503E-01 0.158424167378E-01 0.166146296104E-01 0.174371803756E-01 0.183141322879E-01
|
|
0.192499055008E-01 0.202493079836E-01 0.213175688300E-01 0.224603740859E-01 0.236839052148E-01
|
|
0.249948803123E-01 0.264005981681E-01 0.279089852524E-01 0.295286456827E-01 0.312689141936E-01
|
|
0.331399120910E-01 0.351526061230E-01 0.373188701370E-01 0.396515493135E-01 0.421645266785E-01
|
|
0.448727914797E-01 0.477925088824E-01 0.509410902787E-01 0.543372633197E-01 0.580011405592E-01
|
|
0.619542853434E-01 0.662197732848E-01 0.708222473183E-01 0.757879639489E-01 0.811448278560E-01
|
|
0.869224115226E-01 0.931519559950E-01 0.998663482597E-01 0.107100070038E+00 0.114889112058E+00
|
|
0.123270847052E+00 0.132283853904E+00 0.141967684460E+00 0.152362563655E+00 0.163509012707E+00
|
|
0.175447384343E+00 0.188217298285E+00 0.201856964724E+00 0.216402383218E+00 0.231886404595E+00
|
|
0.248337644011E+00 0.265779234628E+00 0.284227413486E+00 0.303689934365E+00 0.324164306961E+00
|
|
0.345635867868E+00 0.368075696952E+00 0.391438403036E+00 0.415659815785E+00 0.440654636492E+00
|
|
0.466314119498E+00 0.492503878294E+00 0.519061935960E+00 0.545797168315E+00 0.572488319297E+00
|
|
0.598883800695E+00 0.624702520677E+00 0.649636015275E+00 0.673352180591E+00 0.695500916621E+00
|
|
0.715721990436E+00 0.733656312412E+00 0.749108045390E+00 0.762016217053E+00 0.772341596885E+00
|
|
0.780055878407E+00 0.785142249762E+00 0.787596326879E+00 0.787427276586E+00 0.784658973737E+00
|
|
0.779331058835E+00 0.771499815296E+00 0.761238823870E+00 0.748639370032E+00 0.733810580380E+00
|
|
0.716879255307E+00 0.697989344409E+00 0.677301003405E+00 0.654989161087E+00 0.631241554333E+00
|
|
0.606256220322E+00 0.580238500843E+00 0.553397678133E+00 0.525943418853E+00 0.498082239972E+00
|
|
0.470014210432E+00 0.441930075335E+00 0.414008937146E+00 0.386416563062E+00 0.359304325770E+00
|
|
0.332808747187E+00 0.307051489449E+00 0.282139733545E+00 0.258166765355E+00 0.235212636593E+00
|
|
0.213344777691E+00 0.192618474128E+00 0.173077163550E+00 0.154752561549E+00
|
|
ae wavefunction
|
|
-0.721294319238E-03 -0.744364024363E-03 -0.768170001684E-03 -0.792735646577E-03 -0.818085091300E-03
|
|
-0.844243227806E-03 -0.871235731182E-03 -0.899089083828E-03 -0.927830600305E-03 -0.957488452996E-03
|
|
-0.988091698378E-03 -0.101967030419E-02 -0.105225517731E-02 -0.108587819253E-02 -0.112057222197E-02
|
|
-0.115637116562E-02 -0.119330998245E-02 -0.123142472267E-02 -0.127075256070E-02 -0.131133182922E-02
|
|
-0.135320205405E-02 -0.139640399014E-02 -0.144097965840E-02 -0.148697238371E-02 -0.153442683387E-02
|
|
-0.158338905961E-02 -0.163390653579E-02 -0.168602820359E-02 -0.173980451392E-02 -0.179528747192E-02
|
|
-0.185253068268E-02 -0.191158939817E-02 -0.197252056534E-02 -0.203538287550E-02 -0.210023681496E-02
|
|
-0.216714471691E-02 -0.223617081470E-02 -0.230738129632E-02 -0.238084436027E-02 -0.245663027282E-02
|
|
-0.253481142659E-02 -0.261546240050E-02 -0.269866002116E-02 -0.278448342567E-02 -0.287301412575E-02
|
|
-0.296433607341E-02 -0.305853572794E-02 -0.315570212442E-02 -0.325592694357E-02 -0.335930458307E-02
|
|
-0.346593223035E-02 -0.357590993666E-02 -0.368934069265E-02 -0.380633050528E-02 -0.392698847605E-02
|
|
-0.405142688067E-02 -0.417976124985E-02 -0.431211045152E-02 -0.444859677416E-02 -0.458934601128E-02
|
|
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-0.645868722739E-02 -0.666179871088E-02 -0.687116747868E-02 -0.708697772300E-02 -0.730941848548E-02
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-0.187736750894E-01 -0.193405732074E-01 -0.199234106801E-01 -0.205225571854E-01 -0.211383854853E-01
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-0.291216705591E-01 -0.299671484281E-01 -0.308341711324E-01 -0.317230854558E-01 -0.326342287384E-01
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-0.335679274163E-01 -0.345244954571E-01 -0.355042326841E-01 -0.365074229862E-01 -0.375343324047E-01
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-0.385852070934E-01 -0.396602711442E-01 -0.407597242738E-01 -0.418837393625E-01 -0.430324598416E-01
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-0.442059969207E-01 -0.454044266495E-01 -0.466277868067E-01 -0.478760736105E-01 -0.491492382434E-01
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-0.573012857713E-01 -0.587426241074E-01 -0.602063453724E-01 -0.616918054760E-01 -0.631982690704E-01
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-0.104199940063E+00 -0.105472559973E+00 -0.106679714912E+00 -0.107814880367E+00 -0.108871238766E+00
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-0.109841679552E+00 -0.110718800763E+00 -0.111494912260E+00 -0.112162040797E+00 -0.112711937117E+00
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-0.113136085263E+00 -0.113425714315E+00 -0.113571812768E+00 -0.113565145764E+00 -0.113396275411E+00
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-0.113055584425E+00 -0.112533303311E+00 -0.111819541356E+00 -0.110904321632E+00 -0.109777620276E+00
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-0.108429410260E+00 -0.106849709886E+00 -0.105028636197E+00 -0.102956463524E+00 -0.100623687329E+00
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-0.980210934920E-01 -0.951398331799E-01 -0.919715033656E-01 -0.885082330558E-01 -0.847427752199E-01
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-0.806686043678E-01 -0.762800196596E-01 -0.715722533663E-01 -0.665415844209E-01 -0.611854567196E-01
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-0.555026017367E-01 -0.494931649176E-01 -0.431588351974E-01 -0.365029768727E-01 -0.295307629133E-01
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-0.222493086610E-01 -0.146678047065E-01 -0.679764759210E-02 0.134743314109E-02 0.975125313676E-02
|
|
0.183950582352E-01 0.272574178843E-01 0.363141283860E-01 0.455381273029E-01 0.548994202666E-01
|
|
0.643650215280E-01 0.738989099569E-01 0.834620028341E-01 0.930121506156E-01 0.102504156697E+00
|
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0.111889826830E+00 0.121118053015E+00 0.130134936230E+00 0.138883951275E+00 0.147306155631E+00
|
|
0.155340442964E+00 0.162923841220E+00 0.169991855225E+00 0.176478853804E+00 0.182318501572E+00
|
|
0.187444235299E+00 0.191789784156E+00 0.195289732479E+00 0.197880122929E+00 0.199499097238E+00
|
|
0.200087571125E+00 0.199589939313E+00 0.197954806025E+00 0.195135735617E+00 0.191092017313E+00
|
|
0.185789437212E+00 0.179201049891E+00 0.171307940991E+00 0.162099971255E+00 0.151576491448E+00
|
|
0.139747016666E+00 0.126631847590E+00 0.112262625495E+00 0.966828073216E-01 0.799480469589E-01
|
|
0.621264692641E-01 0.432988242466E-01 0.235585102605E-01 0.301145664238E-02 -0.182241425621E-01
|
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-0.400182523452E-01 -0.622295891285E-01 -0.847063985228E-01 -0.107287441601E+00 -0.129803213111E+00
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-0.152077392212E+00 -0.173928458051E+00 -0.195171283662E+00 -0.215618409833E+00 -0.235080754856E+00
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-0.253367880697E+00 -0.270288515734E+00 -0.285652289971E+00 -0.299272970047E+00 -0.310972320227E+00
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-0.320583425611E+00 -0.327953096540E+00 -0.332943668406E+00 -0.335434576925E+00 -0.335323876566E+00
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-0.332529700680E+00 -0.326991585010E+00 -0.318671560485E+00 -0.307554936176E+00 -0.293650726729E+00
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-0.276991709793E+00 -0.257634125983E+00 -0.235657048443E+00 -0.211161457598E+00 -0.184269058174E+00
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-0.155120876525E+00 -0.123875674709E+00 -0.907082147117E-01 -0.558074052121E-01 -0.193743595700E-01
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0.183796075391E-01 0.572350199137E-01 0.969662917195E-01 0.137343767679E+00 0.178135727368E+00
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0.219110328762E+00 0.260037466075E+00 0.300690517883E+00 0.340847965056E+00 0.380294863199E+00
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0.418824163717E+00 0.456237886225E+00 0.492348154009E+00 0.526978109034E+00 0.559962719266E+00
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0.591149480222E+00 0.620398990587E+00 0.647585358842E+00 0.672596380342E+00 0.695333429755E+00
|
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0.715711052076E+00 0.733656312412E+00 0.749108045390E+00 0.762016217053E+00 0.772341596885E+00
|
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0.780055878407E+00 0.785142249762E+00 0.787596326879E+00 0.787427276586E+00 0.784658973737E+00
|
|
0.779331058835E+00 0.771499815296E+00 0.761238823870E+00 0.748639370032E+00 0.733810580380E+00
|
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0.716879255307E+00 0.697989344409E+00 0.677301003405E+00 0.654989161087E+00 0.631241554333E+00
|
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0.606256220322E+00 0.580238500843E+00 0.553397678133E+00 0.525943418853E+00 0.498082239972E+00
|
|
0.470014210432E+00 0.441930075335E+00 0.414008937146E+00 0.386416563062E+00 0.359304325770E+00
|
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0.332808747187E+00 0.307051489449E+00 0.282139733545E+00 0.258166765355E+00 0.235212636593E+00
|
|
0.213344777691E+00 0.192618474128E+00 0.173077163550E+00 0.154752561549E+00
|
|
pseudo wavefunction
|
|
0.182238392795E-04 0.188164330976E-04 0.194282965911E-04 0.200600563621E-04 0.207123593881E-04
|
|
0.213858736850E-04 0.220812889906E-04 0.227993174717E-04 0.235406944527E-04 0.243061791690E-04
|
|
0.250965555447E-04 0.259126329949E-04 0.267552472553E-04 0.276252612373E-04 0.285235659124E-04
|
|
0.294510812243E-04 0.304087570309E-04 0.313975740774E-04 0.324185450004E-04 0.334727153650E-04
|
|
0.345611647357E-04 0.356850077819E-04 0.368453954193E-04 0.380435159888E-04 0.392805964733E-04
|
|
0.405579037543E-04 0.418767459094E-04 0.432384735521E-04 0.446444812144E-04 0.460962087755E-04
|
|
0.475951429363E-04 0.491428187416E-04 0.507408211528E-04 0.523907866704E-04 0.540944050107E-04
|
|
0.558534208355E-04 0.576696355396E-04 0.595449090952E-04 0.614811619568E-04 0.634803770282E-04
|
|
0.655446016933E-04 0.676759499126E-04 0.698766043885E-04 0.721488188006E-04 0.744949201140E-04
|
|
0.769173109621E-04 0.794184721076E-04 0.820009649834E-04 0.846674343155E-04 0.874206108320E-04
|
|
0.902633140597E-04 0.931984552122E-04 0.962290401711E-04 0.993581725650E-04 0.102589056948E-03
|
|
0.105925002083E-03 0.109369424328E-03 0.112925851138E-03 0.116597924679E-03 0.120389405553E-03
|
|
0.124304176655E-03 0.128346247151E-03 0.132519756579E-03 0.136828979095E-03 0.141278327849E-03
|
|
0.145872359502E-03 0.150615778902E-03 0.155513443896E-03 0.160570370310E-03 0.165791737086E-03
|
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0.171182891588E-03 0.176749355083E-03 0.182496828392E-03 0.188431197737E-03 0.194558540764E-03
|
|
0.200885132780E-03 0.207417453174E-03 0.214162192062E-03 0.221126257139E-03 0.228316780759E-03
|
|
0.235741127244E-03 0.243406900432E-03 0.251321951470E-03 0.259494386857E-03 0.267932576761E-03
|
|
0.276645163590E-03 0.285641070858E-03 0.294929512332E-03 0.304520001475E-03 0.314422361204E-03
|
|
0.324646733964E-03 0.335203592122E-03 0.346103748716E-03 0.357358368542E-03 0.368978979606E-03
|
|
0.380977484951E-03 0.393366174874E-03 0.406157739532E-03 0.419365281971E-03 0.433002331572E-03
|
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0.447082857943E-03 0.461621285263E-03 0.476632507091E-03 0.492131901669E-03 0.508135347718E-03
|
|
0.524659240754E-03 0.541720509941E-03 0.559336635494E-03 0.577525666654E-03 0.596306240252E-03
|
|
0.615697599887E-03 0.635719615726E-03 0.656392804966E-03 0.677738352964E-03 0.699778135060E-03
|
|
0.722534739127E-03 0.746031488858E-03 0.770292467832E-03 0.795342544364E-03 0.821207397188E-03
|
|
0.847913541985E-03 0.875488358795E-03 0.903960120338E-03 0.933358021281E-03 0.963712208475E-03
|
|
0.995053812205E-03 0.102741497849E-02 0.106082890244E-02 0.109532986279E-02 0.113095325752E-02
|
|
0.116773564074E-02 0.120571476077E-02 0.124492959955E-02 0.128542041339E-02 0.132722877506E-02
|
|
0.137039761734E-02 0.141497127812E-02 0.146099554694E-02 0.150851771324E-02 0.155758661618E-02
|
|
0.160825269632E-02 0.166056804894E-02 0.171458647937E-02 0.177036356021E-02 0.182795669056E-02
|
|
0.188742515735E-02 0.194883019892E-02 0.201223507083E-02 0.207770511405E-02 0.214530782566E-02
|
|
0.221511293214E-02 0.228719246528E-02 0.236162084106E-02 0.243847494133E-02 0.251783419865E-02
|
|
0.259978068436E-02 0.268439919997E-02 0.277177737219E-02 0.286200575155E-02 0.295517791498E-02
|
|
0.305139057250E-02 0.315074367820E-02 0.325334054566E-02 0.335928796827E-02 0.346869634443E-02
|
|
0.358167980818E-02 0.369835636529E-02 0.381884803535E-02 0.394328100003E-02 0.407178575804E-02
|
|
0.420449728698E-02 0.434155521275E-02 0.448310398674E-02 0.462929307149E-02 0.478027713522E-02
|
|
0.493621625592E-02 0.509727613549E-02 0.526362832481E-02 0.543545046025E-02 0.561292651260E-02
|
|
0.579624704924E-02 0.598560951040E-02 0.618121850071E-02 0.638328609698E-02 0.659203217360E-02
|
|
0.680768474671E-02 0.703048033868E-02 0.726066436456E-02 0.749849154196E-02 0.774422632648E-02
|
|
0.799814337462E-02 0.826052803641E-02 0.853167688017E-02 0.881189825213E-02 0.910151287371E-02
|
|
0.940085447976E-02 0.971027050110E-02 0.100301227953E-01 0.103607884296E-01 0.107026605212E-01
|
|
0.110561491383E-01 0.114216822698E-01 0.117997068672E-01 0.121906899665E-01 0.125951198974E-01
|
|
0.130135075864E-01 0.134463879639E-01 0.138943214833E-01 0.143578957638E-01 0.148377273659E-01
|
|
0.153344637150E-01 0.158487851832E-01 0.163814073467E-01 0.169330834335E-01 0.175046069795E-01
|
|
0.180968147118E-01 0.187105896814E-01 0.193468646668E-01 0.200066258756E-01 0.206909169696E-01
|
|
0.214008434457E-01 0.221375774038E-01 0.229023627381E-01 0.236965207922E-01 0.245214565191E-01
|
|
0.253786651933E-01 0.262697397272E-01 0.271963786447E-01 0.281603947747E-01 0.291637247286E-01
|
|
0.302084392331E-01 0.312967543964E-01 0.324310439914E-01 0.336138528451E-01 0.348479114359E-01
|
|
0.361361518009E-01 0.374817248716E-01 0.388880193581E-01 0.403586823174E-01 0.418976415458E-01
|
|
0.435091299502E-01 0.451977120588E-01 0.469683128476E-01 0.488262490641E-01 0.507772632461E-01
|
|
0.528275606388E-01 0.549838492278E-01 0.572533831116E-01 0.596440094480E-01 0.621642192143E-01
|
|
0.648232020259E-01 0.676309052606E-01 0.705980977348E-01 0.737364381709E-01 0.770585486858E-01
|
|
0.805780935119E-01 0.843098631364E-01 0.882698640083E-01 0.924754139167E-01 0.969452430783E-01
|
|
0.101699600898E+00 0.106760368259E+00 0.112151175083E+00 0.117897522743E+00 0.124026910725E+00
|
|
0.130568966709E+00 0.137555578981E+00 0.145021029732E+00 0.153002127460E+00 0.161538336199E+00
|
|
0.170671898781E+00 0.180447950708E+00 0.190914620499E+00 0.202123111492E+00 0.214127759181E+00
|
|
0.226986056970E+00 0.240758642036E+00 0.255509231510E+00 0.271304497574E+00 0.288213868275E+00
|
|
0.306309238851E+00 0.325664576132E+00 0.346355396213E+00 0.368458092987E+00 0.392049092406E+00
|
|
0.417203804481E+00 0.443995342155E+00 0.472492973301E+00 0.502760269471E+00 0.534852912603E+00
|
|
0.568816119164E+00 0.604681640157E+00 0.642464295650E+00 0.682158004232E+00 0.723731271690E+00
|
|
0.767122109804E+00 0.812232366275E+00 0.858921461187E+00 0.906999545187E+00 0.956220120703E+00
|
|
0.100627220134E+01 0.105677212721E+01 0.110725520681E+01 0.115716742022E+01 0.120585749461E+01
|
|
0.125256975276E+01 0.129643823701E+01 0.133648272527E+01 0.137160737956E+01 0.140060289640E+01
|
|
0.142215315719E+01 0.143484749511E+01 0.143719979063E+01 0.142767566312E+01 0.140472901980E+01
|
|
0.136684912722E+01 0.131261915323E+01 0.124078675136E+01 0.115034668499E+01 0.104063467593E+01
|
|
0.911430574591E+00 0.763073903756E+00 0.596682664451E+00 0.414110934228E+00 0.217807475825E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
|
|
0.000000000000E+00 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
|
|
-0.204400103251E-02 -0.210937586896E-02 -0.217683715001E-02 -0.224645117334E-02 -0.231828632479E-02
|
|
-0.239241314302E-02 -0.246890438593E-02 -0.254783509918E-02 -0.262928268658E-02 -0.271332698284E-02
|
|
-0.280005032802E-02 -0.288953764446E-02 -0.298187651592E-02 -0.307715726887E-02 -0.317547305612E-02
|
|
-0.327691994322E-02 -0.338159699661E-02 -0.348960637511E-02 -0.360105342330E-02 -0.371604676799E-02
|
|
-0.383469841716E-02 -0.395712386178E-02 -0.408344218041E-02 -0.421377614666E-02 -0.434825233973E-02
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End of Dataset
|