mirror of
https://github.com/triqs/dft_tools
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2616 lines
230 KiB
Plaintext
2616 lines
230 KiB
Plaintext
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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
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0.17173138E+01 0.17092511E+01 0.17011994E+01 0.16931585E+01 0.16851286E+01
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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
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|
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
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||
|
0.15214561E+01 0.15140835E+01 0.15067690E+01 0.14995152E+01 0.14923243E+01
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|
0.14851988E+01 0.14781406E+01 0.14711518E+01 0.14642343E+01 0.14573897E+01
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||
|
0.14506196E+01 0.14439252E+01 0.14373076E+01 0.14307679E+01 0.14243066E+01
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||
|
0.14179244E+01 0.14116214E+01 0.14053977E+01 0.13992531E+01 0.13931873E+01
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||
|
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
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||
|
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
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||
|
0.12575861E+01 0.12529025E+01 0.12482323E+01 0.12435731E+01 0.12389226E+01
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||
|
0.12342786E+01 0.12296393E+01 0.12250027E+01 0.12203673E+01 0.12157316E+01
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||
|
0.12110943E+01 0.12064544E+01 0.12018109E+01 0.11971631E+01 0.11925106E+01
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||
|
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
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||
|
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
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||
|
0.92801351E+00 0.92506754E+00 0.92213231E+00 0.91920614E+00 0.91628741E+00
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||
|
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
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||
|
0.85484084E+00 0.85187300E+00 0.84890316E+00 0.84593212E+00 0.84296077E+00
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||
|
0.83999006E+00 0.83702101E+00 0.83405470E+00 0.83109225E+00 0.82813483E+00
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||
|
0.82518364E+00 0.82223991E+00 0.81930488E+00 0.81637979E+00 0.81346591E+00
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||
|
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
|
||
|
-0.14586505E-07 -0.12374831E-06 -0.22940737E-06 -0.33108652E-06 -0.42834228E-06
|
||
|
-0.52076625E-06 -0.60798636E-06 -0.68966791E-06 -0.76551431E-06 -0.83526771E-06
|
||
|
-0.89870929E-06 -0.95565947E-06 -0.10059778E-05 -0.10495627E-05 -0.10863510E-05
|
||
|
-0.11163173E-05 -0.11394732E-05 -0.11558661E-05 -0.11655783E-05 -0.11687255E-05
|
||
|
-0.11654553E-05 -0.11559458E-05 -0.11404040E-05 -0.11190636E-05 -0.10921831E-05
|
||
|
-0.10600445E-05 -0.10229504E-05 -0.98122227E-06 -0.93519838E-06 -0.88523142E-06
|
||
|
-0.83168634E-06 -0.77493817E-06 -0.71536972E-06 -0.65336945E-06 -0.58932926E-06
|
||
|
-0.52364232E-06 -0.45670098E-06 -0.38889475E-06 -0.32060829E-06 -0.25221953E-06
|
||
|
-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
|
||
|
0.68871769E-06 0.69489577E-06 0.69717922E-06 0.69564495E-06 0.69038842E-06
|
||
|
0.68152266E-06 0.66917728E-06 0.65349744E-06 0.63464268E-06 0.61278581E-06
|
||
|
0.58811165E-06 0.56081580E-06 0.53110339E-06 0.49918773E-06 0.46528907E-06
|
||
|
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
|
||
|
0.27518053E-07 -0.12246760E-07 -0.51081842E-07 -0.88799642E-07 -0.12522263E-06
|
||
|
-0.16018404E-06 -0.19352846E-06 -0.22511246E-06 -0.25480505E-06 -0.28248814E-06
|
||
|
-0.30805682E-06 -0.33141969E-06 -0.35249902E-06 -0.37123088E-06 -0.38756514E-06
|
||
|
-0.40146551E-06 -0.41290938E-06 -0.42188764E-06 -0.42840450E-06 -0.43247712E-06
|
||
|
-0.43413528E-06 -0.43342096E-06 -0.43038783E-06 -0.42510074E-06 -0.41763516E-06
|
||
|
-0.40807653E-06 -0.39651960E-06 -0.38306776E-06 -0.36783231E-06 -0.35093169E-06
|
||
|
-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
|
||
|
-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
|
||
|
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|
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|
-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
|
||
|
0.10711541E+02 0.10591378E+02 0.10454271E+02 0.10302262E+02 0.10137449E+02
|
||
|
0.99619110E+01 0.97776502E+01 0.95865458E+01 0.93903183E+01 0.91905080E+01
|
||
|
0.89884641E+01 0.87853434E+01 0.85821170E+01 0.83795820E+01 0.81783773E+01
|
||
|
0.79790021E+01 0.77818340E+01 0.75871483E+01 0.73951354E+01 0.72059171E+01
|
||
|
0.70195614E+01 0.68360948E+01 0.66555134E+01 0.64777919E+01 0.63028909E+01
|
||
|
0.61307629E+01 0.59613569E+01 0.57946219E+01 0.56305096E+01 0.54689761E+01
|
||
|
0.53099831E+01 0.51534985E+01 0.49994967E+01 0.48479589E+01 0.46988722E+01
|
||
|
0.45522295E+01 0.44080291E+01 0.42662737E+01 0.41269700E+01 0.39901276E+01
|
||
|
0.38557589E+01 0.37238779E+01 0.35944997E+01 0.34676402E+01 0.33433150E+01
|
||
|
0.32215393E+01 0.31023275E+01 0.29856924E+01 0.28716453E+01 0.27601954E+01
|
||
|
0.26513500E+01 0.25451136E+01 0.24414885E+01 0.23404742E+01 0.22420678E+01
|
||
|
0.21462633E+01 0.20530522E+01 0.19624233E+01 0.18743627E+01 0.17888539E+01
|
||
|
0.17058780E+01 0.16254135E+01 0.15474368E+01 0.14719218E+01 0.13988407E+01
|
||
|
0.13281633E+01 0.12598579E+01 0.11938909E+01 0.11302272E+01 0.10688303E+01
|
||
|
0.10096620E+01 0.95268338E+00 0.89785406E+00 0.84513282E+00 0.79447754E+00
|
||
|
0.74584533E+00 0.69919265E+00 0.65447539E+00 0.61164901E+00 0.57066854E+00
|
||
|
0.53148877E+00 0.49406426E+00 0.45834947E+00 0.42429879E+00 0.39186662E+00
|
||
|
0.36100745E+00 0.33167593E+00 0.30382690E+00 0.27741543E+00 0.25239694E+00
|
||
|
0.22872718E+00 0.20636230E+00 0.18525887E+00 0.16537397E+00 0.14666516E+00
|
||
|
0.12909054E+00 0.11260882E+00 0.97179257E-01 0.82761766E-01 0.69316897E-01
|
||
|
0.56805866E-01 0.45190577E-01 0.34433638E-01 0.24498374E-01 0.15348844E-01
|
||
|
0.69498488E-02 -0.73305153E-03 -0.77335335E-02 -0.14084499E-01 -0.19818071E-01
|
||
|
-0.24965582E-01 -0.29557576E-01 -0.33623799E-01 -0.37193198E-01 -0.40293919E-01
|
||
|
-0.42953307E-01 -0.45197900E-01 -0.47053438E-01 -0.48544856E-01 -0.49696291E-01
|
||
|
-0.50531082E-01 -0.51071774E-01 -0.51340123E-01 -0.51357097E-01 -0.51142885E-01
|
||
|
-0.50716902E-01 -0.50097794E-01 -0.49303447E-01 -0.48350990E-01 -0.47256812E-01
|
||
|
-0.46036560E-01 -0.44705157E-01 -0.43276808E-01 -0.41765011E-01 -0.40182566E-01
|
||
|
-0.38541592E-01 -0.36853531E-01 -0.35129168E-01 -0.33378640E-01 -0.31611448E-01
|
||
|
-0.29836476E-01 -0.28061999E-01 -0.26295704E-01 -0.24544698E-01 -0.22815532E-01
|
||
|
-0.21114208E-01 -0.19446201E-01 -0.17816474E-01 -0.16229493E-01 -0.14689247E-01
|
||
|
-0.13199262E-01 -0.11762622E-01 -0.10381982E-01 -0.90595899E-02 -0.77973018E-02
|
||
|
-0.65966010E-02 -0.54586158E-02 -0.43841369E-02 -0.33736360E-02 -0.24272835E-02
|
||
|
-0.15449659E-02 -0.72630426E-03 0.29329007E-04 0.72279223E-03 0.13551576E-02
|
||
|
0.19276940E-02 0.24418505E-02 0.28992402E-02 0.33016237E-02 0.36508937E-02
|
||
|
0.39490598E-02 0.41982333E-02 0.44006129E-02 0.45584707E-02 0.46741387E-02
|
||
|
0.47499954E-02 0.47884537E-02 0.47919486E-02 0.47629256E-02 0.47038300E-02
|
||
|
0.46170966E-02 0.45051395E-02 0.43703432E-02 0.42150539E-02 0.40415712E-02
|
||
|
0.38521412E-02 0.36489489E-02 0.34341125E-02 0.32096775E-02 0.29776113E-02
|
||
|
0.27397993E-02 0.24980402E-02 0.22540432E-02 0.20094246E-02 0.17657059E-02
|
||
|
0.15243116E-02 0.12865681E-02 0.10537028E-02 0.82684359E-03 0.60701922E-03
|
||
|
0.39515947E-03 0.19209627E-03 -0.14351079E-05 -0.18479435E-03 -0.35743413E-03
|
||
|
-0.51889778E-03 -0.66881666E-03 -0.80690733E-03 -0.93296837E-03 -0.10468771E-02
|
||
|
-0.11485858E-02 -0.12381184E-02 -0.13155663E-02 -0.13810843E-02 -0.14348868E-02
|
||
|
-0.14772432E-02 -0.15084742E-02 -0.15289469E-02 -0.15390709E-02 -0.15392938E-02
|
||
|
-0.15300971E-02 -0.15119917E-02 -0.14855139E-02 -0.14512213E-02 -0.14096885E-02
|
||
|
-0.13615037E-02 -0.13072643E-02 -0.12475736E-02 -0.11830372E-02 -0.11142596E-02
|
||
|
-0.10418410E-02 -0.96637425E-03 -0.88844191E-03 -0.80861370E-03 -0.72744391E-03
|
||
|
-0.64546911E-03 -0.56320610E-03 -0.48114990E-03 -0.39977215E-03 -0.31951948E-03
|
||
|
-0.24081230E-03 -0.16404359E-03 -0.89578023E-04 -0.17751210E-04 0.51130870E-04
|
||
|
0.11679224E-03 0.17898711E-03 0.23749997E-03 0.29214538E-03 0.34276778E-03
|
||
|
0.38924100E-03 0.43146773E-03 0.46937885E-03 0.50293256E-03 0.53211353E-03
|
||
|
0.55693182E-03 0.57742180E-03 0.59364094E-03 0.60566853E-03 0.61360438E-03
|
||
|
0.61756736E-03 0.61769407E-03 0.61413725E-03 0.60706439E-03 0.59665614E-03
|
||
|
0.58310481E-03 0.56661287E-03 0.54739138E-03 0.52565852E-03 0.50163810E-03
|
||
|
0.47555810E-03 0.44764924E-03 0.41814362E-03 0.38727339E-03 0.35526944E-03
|
||
|
0.32236020E-03 0.28877048E-03 0.25472034E-03 0.22042409E-03 0.18608932E-03
|
||
|
0.15191599E-03 0.11809564E-03 0.84810655E-04 0.52233586E-04 0.20526576E-04
|
||
|
-0.10159148E-04 -0.39683696E-04 -0.67918875E-04 -0.94748458E-04 -0.12006838E-03
|
||
|
-0.14378689E-03 -0.16582455E-03 -0.18611431E-03 -0.20460135E-03 -0.22124298E-03
|
||
|
-0.23600841E-03 -0.24887856E-03 -0.25984564E-03 -0.26891290E-03 -0.27609414E-03
|
||
|
-0.28141330E-03 -0.28490395E-03 -0.28660881E-03 -0.28657915E-03 -0.28487420E-03
|
||
|
-0.28156061E-03 -0.27671176E-03 -0.27040719E-03 -0.26273189E-03 -0.25377566E-03
|
||
|
-0.24363250E-03 -0.23239989E-03 -0.22017818E-03 -0.20706991E-03 -0.19317919E-03
|
||
|
-0.17861108E-03 -0.16347098E-03 -0.14786402E-03 -0.13189451E-03 -0.11566542E-03
|
||
|
-0.99277796E-04 -0.82830316E-04 -0.66418817E-04 -0.50135853E-04 -0.34070303E-04
|
||
|
-0.18306992E-04 -0.29263671E-05 0.11995814E-04 0.26388743E-04 0.40186794E-04
|
||
|
0.53329717E-04 0.65762806E-04 0.77437015E-04 0.88309059E-04 0.98341469E-04
|
||
|
0.10750261E-03 0.11576670E-03 0.12311373E-03 0.12952943E-03 0.13500517E-03
|
||
|
0.13953782E-03 0.14312960E-03 0.14578794E-03 0.14752526E-03 0.14835872E-03
|
||
|
0.14831005E-03 0.14740527E-03 0.14567438E-03 0.14315116E-03 0.13987279E-03
|
||
|
0.13587962E-03 0.13121481E-03 0.12592402E-03 0.12005511E-03 0.11365780E-03
|
||
|
0.10678335E-03 0.99484217E-04 0.91813764E-04 0.83825925E-04 0.75574896E-04
|
||
|
0.67114832E-04 0.58499555E-04 0.49782262E-04 0.41015258E-04 0.32249690E-04
|
||
|
0.23535298E-04 0.14920186E-04 0.64505967E-05 -0.18292867E-05 -0.98775297E-05
|
||
|
-0.17654615E-04 -0.25123596E-04 -0.32250227E-04 -0.39003086E-04 -0.45353665E-04
|
||
|
-0.51276456E-04 -0.56749011E-04 -0.61751981E-04 -0.66269149E-04 -0.70287433E-04
|
||
|
-0.73796877E-04 -0.76790631E-04 -0.79264902E-04 -0.81218903E-04 -0.82654777E-04
|
||
|
-0.83577514E-04 -0.83994850E-04 -0.83917159E-04 -0.83357325E-04 -0.82330612E-04
|
||
|
-0.80854522E-04 -0.78948641E-04 -0.76634478E-04 -0.73935304E-04 -0.70875979E-04
|
||
|
-0.67482774E-04 -0.63783193E-04 -0.59805792E-04 -0.55579996E-04 -0.51135914E-04
|
||
|
-0.46504156E-04 -0.41715654E-04 -0.36801482E-04 -0.31792679E-04 -0.26720078E-04
|
||
|
-0.21614142E-04 -0.16504803E-04 -0.11421306E-04 -0.63920659E-05 -0.14445250E-05
|
||
|
0.33949737E-05 0.81013092E-05 0.12650694E-04 0.17020778E-04 0.21190735E-04
|
||
|
0.25141351E-04 0.28855090E-04 0.32316156E-04 0.35510540E-04 0.38426062E-04
|
||
|
0.41052394E-04 0.43381080E-04 0.45405537E-04 0.47121056E-04 0.48524785E-04
|
||
|
0.49615699E-04 0.50394574E-04 0.50863937E-04 0.51028017E-04 0.50892681E-04
|
||
|
0.50465368E-04 0.49755012E-04 0.48771960E-04 0.47527883E-04 0.46035682E-04
|
||
|
0.44309387E-04 0.42364057E-04 0.40215673E-04 0.37881023E-04 0.35377597E-04
|
||
|
0.32723468E-04 0.29937183E-04 0.27037642E-04 0.24043988E-04 0.20975492E-04
|
||
|
0.17851441E-04 0.14691030E-04 0.11513253E-04 0.83368036E-05 0.51799685E-05
|
||
|
0.20605386E-05 -0.10042847E-05 -0.39979744E-05 -0.69047577E-05 -0.97096902E-05
|
||
|
-0.12398724E-04 -0.14958768E-04 -0.17377744E-04 -0.19644636E-04 -0.21749526E-04
|
||
|
-0.23683634E-04 -0.25439341E-04 -0.27010212E-04 -0.28391005E-04 -0.29577677E-04
|
||
|
-0.30567387E-04 -0.31358483E-04 -0.31950488E-04 -0.32344083E-04 -0.32541074E-04
|
||
|
-0.32544364E-04 -0.32357911E-04 -0.31986683E-04 -0.31436616E-04 -0.30714551E-04
|
||
|
-0.29828184E-04 -0.28786001E-04 -0.27597216E-04 -0.26271702E-04 -0.24819919E-04
|
||
|
-0.23252848E-04 -0.21581911E-04 -0.19818903E-04 -0.17975911E-04 -0.16065243E-04
|
||
|
-0.14099348E-04 -0.12090750E-04 -0.10051964E-04 -0.79954329E-05 -0.59334520E-05
|
||
|
-0.38781038E-05 -0.18411917E-05 0.16582253E-06 0.21318775E-05 0.40463684E-05
|
||
|
0.58991991E-05 0.76808299E-05 0.93823222E-05 0.10995378E-04 0.12512373E-04
|
||
|
0.13926393E-04 0.15231253E-04 0.16421523E-04 0.17492543E-04 0.18440434E-04
|
||
|
0.19262107E-04 0.19955265E-04 0.20518399E-04 0.20950782E-04 0.21252460E-04
|
||
|
0.21424234E-04 0.21467641E-04 0.21384932E-04 0.21179045E-04 0.20853572E-04
|
||
|
0.20412730E-04 0.19861320E-04 0.19204692E-04 0.18448698E-04 0.17599656E-04
|
||
|
0.16664297E-04 0.15649722E-04 0.14563355E-04 0.13412890E-04 0.12206243E-04
|
||
|
0.10951504E-04 0.96568844E-05 0.83306685E-05 0.69811632E-05 0.56166508E-05
|
||
|
0.42453410E-05 0.28753250E-05 0.15145311E-05 0.17068232E-06 -0.11487445E-05
|
||
|
-0.24365569E-05 -0.36858829E-05 -0.48902046E-05 -0.60433887E-05 -0.71397144E-05
|
||
|
-0.81738989E-05 -0.91411193E-05 -0.10037031E-04 -0.10857785E-04 -0.11600038E-04
|
||
|
-0.12260965E-04 -0.12838264E-04 -0.13330159E-04 -0.13735401E-04 -0.14053265E-04
|
||
|
-0.14283544E-04 -0.14426540E-04 -0.14483053E-04 -0.14454368E-04 -0.14342234E-04
|
||
|
-0.14148852E-04 -0.13876849E-04 -0.13529254E-04 -0.13109477E-04 -0.12621280E-04
|
||
|
-0.12068749E-04 -0.11456262E-04 -0.10788464E-04 -0.10070230E-04 -0.93066358E-05
|
||
|
-0.85029223E-05 -0.76644657E-05 -0.67967418E-05 -0.59052937E-05 -0.49956985E-05
|
||
|
-0.40735349E-05 -0.31443508E-05 -0.22136329E-05 -0.12867757E-05 -0.36905268E-06
|
||
|
0.53441155E-06 0.14186679E-05 0.22789678E-05 0.31107865E-05 0.39098451E-05
|
||
|
0.46721300E-05 0.53939114E-05 0.60717589E-05 0.67025559E-05 0.72835115E-05
|
||
|
0.78121704E-05 0.82864210E-05 0.87045009E-05 0.90650004E-05 0.93668648E-05
|
||
|
0.96093932E-05 0.97922366E-05 0.99153933E-05 0.99792028E-05 0.99843373E-05
|
||
|
0.99317924E-05 0.98228756E-05 0.96591929E-05 0.94426345E-05 0.91753595E-05
|
||
|
0.88597781E-05 0.84985339E-05 0.80944846E-05 0.76506824E-05 0.71703528E-05
|
||
|
0.66568732E-05 0.61137518E-05 0.55446047E-05 0.49531340E-05 0.43431050E-05
|
||
|
0.37183242E-05 0.30826166E-05 0.24398043E-05 0.17936843E-05 0.11480081E-05
|
||
|
0.50646072E-06 -0.12735847E-06 -0.74995497E-06 -0.13579569E-05 -0.19481321E-05
|
||
|
-0.25174038E-05 -0.30628655E-05 -0.35817945E-05 -0.40716640E-05 -0.45301542E-05
|
||
|
-0.49551619E-05 -0.53448086E-05 -0.56974477E-05 -0.60116693E-05 -0.62863049E-05
|
||
|
-0.65204294E-05 -0.67133627E-05 -0.68646695E-05 -0.69741573E-05 -0.70418742E-05
|
||
|
-0.70681039E-05 -0.70533611E-05 -0.69983841E-05 -0.69041277E-05 -0.67717539E-05
|
||
|
-0.66026221E-05 -0.63982783E-05 -0.61604438E-05 -0.58910021E-05 -0.55919860E-05
|
||
|
-0.52655641E-05 -0.49140259E-05 -0.45397676E-05 -0.41452765E-05 -0.37331158E-05
|
||
|
-0.33059090E-05 -0.28663239E-05 -0.24170577E-05 -0.19608203E-05 -0.15003198E-05
|
||
|
-0.10382468E-05 -0.57725959E-06 -0.11996982E-06 0.33107155E-06 0.77338771E-06
|
||
|
0.12045887E-05 0.16223838E-05 0.20245926E-05 0.24091557E-05 0.27741447E-05
|
||
|
0.31177710E-05 0.34383936E-05 0.37345264E-05 0.40048440E-05 0.42481873E-05
|
||
|
0.44635669E-05 0.46501668E-05 0.48073460E-05 0.49346400E-05 0.50317603E-05
|
||
|
0.50985942E-05 0.51352020E-05 0.51418152E-05 0.51188317E-05 0.50668119E-05
|
||
|
0.49864730E-05 0.48786825E-05 0.47444516E-05 0.45849271E-05 0.44013831E-05
|
||
|
0.41952120E-05 0.39679151E-05 0.37210924E-05 0.34564322E-05 0.31757007E-05
|
||
|
0.28807302E-05 0.25734085E-05 0.22556670E-05 0.19294696E-05 0.15968006E-05
|
||
|
0.12596536E-05 0.92002002E-06 0.57987765E-06 0.24117984E-06 -0.94155353E-07
|
||
|
-0.42425551E-06 -0.74730387E-06 -0.10615488E-05 -0.13653131E-05 -0.16570022E-05
|
||
|
-0.19351121E-05 -0.21982371E-05 -0.24450760E-05 -0.26744384E-05 -0.28852497E-05
|
||
|
-0.30765559E-05 -0.32475273E-05 -0.33974617E-05 -0.35257863E-05 -0.36320597E-05
|
||
|
-0.37159726E-05 -0.37773475E-05 -0.38161381E-05 -0.38324280E-05 -0.38264285E-05
|
||
|
-0.37984753E-05 -0.37490254E-05 -0.36786529E-05 -0.35880435E-05 -0.34779902E-05
|
||
|
-0.33493865E-05 -0.32032203E-05 -0.30405670E-05 -0.28625821E-05 -0.26704939E-05
|
||
|
-0.24655950E-05 -0.22492345E-05 -0.20228093E-05 -0.17877557E-05 -0.15455402E-05
|
||
|
-0.12976515E-05 -0.10455908E-05 -0.79086379E-06 -0.53497147E-06 -0.27940181E-06
|
||
|
-0.25621387E-07 0.22493279E-06 0.47086110E-06 0.71080888E-06 0.94347361E-06
|
||
|
0.11676117E-05 0.13820448E-05 0.15856658E-05 0.17774445E-05 0.19564318E-05
|
||
|
0.21217649E-05 0.22726709E-05 0.24084697E-05 0.25285771E-05 0.26325069E-05
|
||
|
0.27198723E-05 0.27903868E-05 0.28438647E-05 0.28802208E-05 0.28994695E-05
|
||
|
0.29017235E-05 0.28871920E-05 0.28561780E-05 0.28090756E-05 0.27463663E-05
|
||
|
0.26686152E-05 0.25764669E-05 0.24706402E-05 0.23519236E-05 0.22211697E-05
|
||
|
0.20792890E-05 0.19272445E-05 0.17660452E-05 0.15967398E-05 0.14204100E-05
|
||
|
0.12381638E-05 0.10511292E-05 0.86044689E-06 0.66726381E-06 0.47272645E-06
|
||
|
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
|
||
|
0.817074606028E-04 0.843643833864E-04 0.871077026707E-04 0.899402278545E-04 0.928648596909E-04
|
||
|
0.958845932585E-04 0.990025210285E-04 0.102221836031E-03 0.105545835127E-03 0.108977922380E-03
|
||
|
0.112521612550E-03 0.116180534683E-03 0.119958435835E-03 0.123859184909E-03 0.127886776611E-03
|
||
|
0.132045335548E-03 0.136339120448E-03 0.140772528520E-03 0.145350099963E-03 0.150076522610E-03
|
||
|
0.154956636730E-03 0.159995439987E-03 0.165198092555E-03 0.170569922406E-03 0.176116430763E-03
|
||
|
0.181843297735E-03 0.187756388134E-03 0.193861757481E-03 0.200165658208E-03 0.206674546061E-03
|
||
|
0.213395086709E-03 0.220334162573E-03 0.227498879873E-03 0.234896575906E-03 0.242534826560E-03
|
||
|
0.250421454069E-03 0.258564535030E-03 0.266972408670E-03 0.275653685385E-03 0.284617255562E-03
|
||
|
0.293872298679E-03 0.303428292711E-03 0.313295023829E-03 0.323482596428E-03 0.334001443474E-03
|
||
|
0.344862337184E-03 0.356076400063E-03 0.367655116291E-03 0.379610343485E-03 0.391954324843E-03
|
||
|
0.404699701681E-03 0.417859526377E-03 0.431447275743E-03 0.445476864821E-03 0.459962661136E-03
|
||
|
0.474919499409E-03 0.490362696751E-03 0.506308068344E-03 0.522771943642E-03 0.539771183093E-03
|
||
|
0.557323195403E-03 0.575445955366E-03 0.594158022273E-03 0.613478558914E-03 0.633427351208E-03
|
||
|
0.654024828461E-03 0.675292084290E-03 0.697250898224E-03 0.719923758006E-03 0.743333882626E-03
|
||
|
0.767505246098E-03 0.792462602009E-03 0.818231508874E-03 0.844838356305E-03 0.872310392038E-03
|
||
|
0.900675749839E-03 0.929963478313E-03 0.960203570652E-03 0.991426995355E-03 0.102366572794E-02
|
||
|
0.105695278367E-02 0.109132225143E-02 0.112680932853E-02 0.116345035684E-02 0.120128285999E-02
|
||
|
0.124034558177E-02 0.128067852580E-02 0.132232299656E-02 0.136532164162E-02 0.140971849534E-02
|
||
|
0.145555902399E-02 0.150289017228E-02 0.155176041143E-02 0.160221978884E-02 0.165431997932E-02
|
||
|
0.170811433802E-02 0.176365795507E-02 0.182100771198E-02 0.188022233992E-02 0.194136247983E-02
|
||
|
0.200449074457E-02 0.206967178299E-02 0.213697234617E-02 0.220646135577E-02 0.227820997462E-02
|
||
|
0.235229167955E-02 0.242878233672E-02 0.250776027924E-02 0.258930638742E-02 0.267350417161E-02
|
||
|
0.276043985770E-02 0.285020247542E-02 0.294288394953E-02 0.303857919397E-02 0.313738620903E-02
|
||
|
0.323940618173E-02 0.334474358943E-02 0.345350630684E-02 0.356580571650E-02 0.368175682280E-02
|
||
|
0.380147836982E-02 0.392509296287E-02 0.405272719412E-02 0.418451177215E-02 0.432058165590E-02
|
||
|
0.446107619282E-02 0.460613926159E-02 0.475591941946E-02 0.491057005441E-02 0.507024954221E-02
|
||
|
0.523512140860E-02 0.540535449677E-02 0.558112314030E-02 0.576260734162E-02 0.594999295642E-02
|
||
|
0.614347188395E-02 0.634324226353E-02 0.654950867748E-02 0.676248236065E-02 0.698238141669E-02
|
||
|
0.720943104145E-02 0.744386375358E-02 0.768591963268E-02 0.793584656511E-02 0.819390049789E-02
|
||
|
0.846034570080E-02 0.873545503701E-02 0.901951024252E-02 0.931280221468E-02 0.961563131010E-02
|
||
|
0.992830765224E-02 0.102511514490E-01 0.105844933206E-01 0.109286746383E-01 0.112840478739E-01
|
||
|
0.116509769605E-01 0.120298376656E-01 0.124210179757E-01 0.128249184936E-01 0.132419528488E-01
|
||
|
0.136725481208E-01 0.141171452768E-01 0.145761996233E-01 0.150501812718E-01 0.155395756212E-01
|
||
|
0.160448838539E-01 0.165666234497E-01 0.171053287156E-01 0.176615513329E-01 0.182358609221E-01
|
||
|
0.188288456263E-01 0.194411127139E-01 0.200732891997E-01 0.207260224877E-01 0.213999810339E-01
|
||
|
0.220958550307E-01 0.228143571139E-01 0.235562230924E-01 0.243222127018E-01 0.251131103823E-01
|
||
|
0.259297260824E-01 0.267728960879E-01 0.276434838784E-01 0.285423810121E-01 0.294705080381E-01
|
||
|
0.304288154396E-01 0.314182846070E-01 0.324399288434E-01 0.334947944017E-01 0.345839615563E-01
|
||
|
0.357085457097E-01 0.368696985343E-01 0.380686091520E-01 0.393065053520E-01 0.405846548483E-01
|
||
|
0.419043665777E-01 0.432669920402E-01 0.446739266834E-01 0.461266113313E-01 0.476265336600E-01
|
||
|
0.491752297209E-01 0.507742855143E-01 0.524253386128E-01 0.541300798393E-01 0.558902549976E-01
|
||
|
0.577076666610E-01 0.595841760178E-01 0.615217047776E-01 0.635222371391E-01 0.655878218222E-01
|
||
|
0.677205741663E-01 0.699226782960E-01 0.721963893584E-01 0.745440358324E-01 0.769680219131E-01
|
||
|
0.794708299739E-01 0.820550231092E-01 0.847232477585E-01 0.874782364169E-01 0.903228104337E-01
|
||
|
0.932598829012E-01 0.962924616382E-01 0.994236522703E-01 0.102656661410E+00 0.105994799942E+00
|
||
|
0.109441486412E+00 0.113000250527E+00 0.116674736773E+00 0.120468708145E+00 0.124386050001E+00
|
||
|
0.128430774042E+00 0.132607022418E+00 0.136919071973E+00 0.141371338622E+00 0.145968381876E+00
|
||
|
0.150714909508E+00 0.155615782378E+00 0.160676019407E+00 0.165900802720E+00 0.171295482953E+00
|
||
|
0.176865584728E+00 0.182616812318E+00 0.188555055481E+00 0.194686395498E+00 0.201017111397E+00
|
||
|
0.207553686383E+00 0.214302814481E+00 0.221271407388E+00 0.228466601551E+00 0.235895765479E+00
|
||
|
0.243566507285E+00 0.251486682478E+00 0.259664402009E+00 0.268108040579E+00 0.276826245211E+00
|
||
|
0.285827944108E+00 0.295122355797E+00 0.304718998567E+00 0.314627700220E+00 0.324858608131E+00
|
||
|
0.335422199644E+00 0.346329292801E+00 0.357591057417E+00 0.369219026523E+00 0.381225108177E+00
|
||
|
0.393621597655E+00 0.406421190044E+00 0.419636993248E+00 0.433282541402E+00 0.447371808741E+00
|
||
|
0.461919223905E+00 0.476939684719E+00 0.492448573447E+00 0.508461772546E+00 0.524995680932E+00
|
||
|
0.542067230772E+00 0.559693904825E+00 0.577893754344E+00 0.596685417567E+00 0.616088138798E+00
|
||
|
0.636121788120E+00 0.656806881740E+00 0.678164603001E+00 0.700216824077E+00 0.722986128369E+00
|
||
|
0.746495833633E+00 0.770770015864E+00 0.795833533944E+00 0.821712055106E+00 0.848432081217E+00
|
||
|
0.876020975919E+00 0.904506992651E+00 0.933919303583E+00 0.964288029491E+00 0.995644270606E+00
|
||
|
0.102802013846E+01 0.106144878876E+01 0.109596445538E+01 0.113160248538E+01 0.116839937520E+01
|
||
|
0.120639280808E+01 0.124562169262E+01 0.128612620261E+01 0.132794781823E+01 0.137112936845E+01
|
||
|
0.141571507497E+01 0.146175059743E+01 0.150928308023E+01 0.155836120080E+01 0.160903521942E+01
|
||
|
0.166135703070E+01 0.171538021676E+01 0.177116010206E+01 0.182875381007E+01 0.188822032179E+01
|
||
|
0.194962053613E+01 0.201301733225E+01 0.207847563403E+01 0.214606247649E+01 0.221584707445E+01
|
||
|
0.228790089345E+01 0.236229772289E+01 0.243911375163E+01 0.251842764599E+01 0.260032063033E+01
|
||
|
0.268487657022E+01 0.277218205833E+01 0.286232650312E+01 0.295540222037E+01 0.305150452775E+01
|
||
|
0.315073184242E+01 0.325318578182E+01 0.335897126774E+01 0.346819663376E+01 0.358097373620E+01
|
||
|
0.369741806866E+01 0.381764888032E+01 0.394178929804E+01 0.406996645245E+01
|
||
|
aepotential
|
||
|
0.163367028340E+05 0.164109575696E+05 0.164562518949E+05 0.164721594859E+05 0.164585093839E+05
|
||
|
0.164153460270E+05 0.163429084792E+05 0.162417331269E+05 0.161125116966E+05 0.159561180680E+05
|
||
|
0.157736687708E+05 0.155664558493E+05 0.153358879884E+05 0.150835284653E+05 0.148111159318E+05
|
||
|
0.145203612610E+05 0.142131741141E+05 0.138914302895E+05 0.135570540828E+05 0.132119817479E+05
|
||
|
0.128581123328E+05 0.124973194011E+05 0.121314089997E+05 0.117621263009E+05 0.113911215656E+05
|
||
|
0.110199502430E+05 0.106500649409E+05 0.102827994458E+05 0.991937564992E+04 0.956089268928E+04
|
||
|
0.920833035089E+04 0.886254919574E+04 0.852429364843E+04 0.819419536745E+04 0.787277920942E+04
|
||
|
0.756046843606E+04 0.725759182075E+04 0.696439045256E+04 0.668102522188E+04 0.640758423283E+04
|
||
|
0.614409029466E+04 0.589050823127E+04 0.564675196734E+04 0.541269130774E+04 0.518815829094E+04
|
||
|
0.497295324901E+04 0.476685015163E+04 0.456960192149E+04 0.438094469908E+04 0.420060212935E+04
|
||
|
0.402828932606E+04 0.386371516432E+04 0.370658623372E+04 0.355660865103E+04 0.341349015114E+04
|
||
|
0.327694177908E+04 0.314667992238E+04 0.302242665987E+04 0.290391139355E+04 0.279087128835E+04
|
||
|
0.268305210100E+04 0.258020776704E+04 0.248210208020E+04 0.238850787700E+04 0.229920676087E+04
|
||
|
0.221399019946E+04 0.213265871692E+04 0.205502149295E+04 0.198089705800E+04 0.191011209892E+04
|
||
|
0.184250183981E+04 0.177790942228E+04 0.171618593425E+04 0.165718967803E+04 0.160078619809E+04
|
||
|
0.154684796685E+04 0.149525369062E+04 0.144588862246E+04 0.139864368313E+04 0.135341564097E+04
|
||
|
0.131010621387E+04 0.126862276002E+04 0.122887707431E+04 0.119078547955E+04 0.115426862267E+04
|
||
|
0.111925176943E+04 0.108566323154E+04 0.105343545450E+04 0.102250447178E+04 0.992809155217E+03
|
||
|
0.964291813022E+03 0.936897560588E+03 0.910574249975E+03 0.885272495870E+03 0.860945118383E+03
|
||
|
0.837547534507E+03 0.815037249953E+03 0.793373856507E+03 0.772518903366E+03 0.752435867341E+03
|
||
|
0.733089932906E+03 0.714447959241E+03 0.696478403592E+03 0.679151179303E+03 0.662437647915E+03
|
||
|
0.646310478112E+03 0.630743602432E+03 0.615712161372E+03 0.601192416543E+03 0.587161698802E+03
|
||
|
0.573598353352E+03 0.560481689445E+03 0.547791926732E+03 0.535510136532E+03 0.523618213500E+03
|
||
|
0.512098822215E+03 0.500935366778E+03 0.490111917727E+03 0.479613289828E+03 0.469424785543E+03
|
||
|
0.459532404880E+03 0.449922702326E+03 0.440582721901E+03 0.431500015644E+03 0.422662680026E+03
|
||
|
0.414059187821E+03 0.405678502340E+03 0.397509959219E+03 0.389543320874E+03 0.381768676303E+03
|
||
|
0.374176516815E+03 0.366757629131E+03 0.359503141267E+03 0.352404473459E+03 0.345453343627E+03
|
||
|
0.338641730840E+03 0.331961890678E+03 0.325406315507E+03 0.318967742013E+03 0.312639128301E+03
|
||
|
0.306413652758E+03 0.300284694757E+03 0.294245835244E+03 0.288290839419E+03 0.282413653704E+03
|
||
|
0.276608397949E+03 0.270869356280E+03 0.265190971589E+03 0.259567840158E+03 0.253994705600E+03
|
||
|
0.248466452224E+03 0.242978103749E+03 0.237524815365E+03 0.232101871694E+03 0.226704684196E+03
|
||
|
0.221328786781E+03 0.215969832820E+03 0.210623595393E+03 0.205285962666E+03 0.199952939148E+03
|
||
|
0.194620642725E+03 0.189285304516E+03 0.183943272328E+03 0.178591002835E+03 0.173225072144E+03
|
||
|
0.167842169707E+03 0.162439104379E+03 0.157012803087E+03 0.151560316417E+03 0.146078819428E+03
|
||
|
0.140565617274E+03 0.135018147329E+03 0.129433985859E+03 0.123810851075E+03 0.118146611378E+03
|
||
|
0.112439290348E+03 0.106687074469E+03 0.100888321503E+03 0.950415685165E+02 0.891455433948E+02
|
||
|
0.831991736314E+02 0.772015992593E+02 0.711521864085E+02 0.650505407228E+02 0.588965235481E+02
|
||
|
0.526902697133E+02 0.464322062605E+02 0.401230737411E+02 0.337639491935E+02 0.273562713728E+02
|
||
|
0.209018684476E+02 0.144029878757E+02 0.786232832702E+01 0.128307434473E+01 -0.533106754251E+01
|
||
|
-0.119758315548E+02 -0.186463543938E+02 -0.253371386576E+02 -0.320420183825E+02 -0.387541302162E+02
|
||
|
-0.454658934079E+02 -0.521690019385E+02 -0.588544361169E+02 -0.655124974519E+02 -0.721328760890E+02
|
||
|
-0.787047570017E+02 -0.852169727974E+02 -0.916582084802E+02 -0.980172594894E+02 -0.104283338344E+03
|
||
|
-0.110446412747E+03 -0.116497542721E+03 -0.122429160841E+03 -0.128235211324E+03 -0.133911032685E+03
|
||
|
-0.139452841274E+03 -0.144856666470E+03 -0.150116622691E+03 -0.155222510418E+03 -0.160156945482E+03
|
||
|
-0.164892509015E+03 -0.169389754508E+03 -0.173597125781E+03 -0.177453760535E+03 -0.180895622217E+03
|
||
|
-0.183864444028E+03 -0.186317923059E+03 -0.188238931788E+03 -0.189641533722E+03 -0.190572223278E+03
|
||
|
-0.191105749267E+03 -0.191335964285E+03 -0.191363437807E+03 -0.191282841699E+03 -0.191173451019E+03
|
||
|
-0.191094903228E+03 -0.191088074252E+03 -0.191179061200E+03 -0.191383881834E+03 -0.191712262255E+03
|
||
|
-0.192170015566E+03 -0.192760271970E+03 -0.193484056328E+03 -0.194340625270E+03 -0.195327775960E+03
|
||
|
-0.196442176173E+03 -0.197679695823E+03 -0.199035685866E+03 -0.200505176791E+03 -0.202082981556E+03
|
||
|
-0.203763703558E+03 -0.205541660025E+03 -0.207410730448E+03 -0.209364137495E+03 -0.211394172119E+03
|
||
|
-0.213491864424E+03 -0.215646617444E+03 -0.217845829388E+03 -0.220074548329E+03 -0.222315242823E+03
|
||
|
-0.224547809120E+03 -0.226749984471E+03 -0.228898369467E+03 -0.230970257854E+03 -0.232946378485E+03
|
||
|
-0.234814408098E+03 -0.236572586248E+03 -0.238231776417E+03 -0.239812829800E+03 -0.241334378345E+03
|
||
|
-0.242786800720E+03 -0.244095928791E+03 -0.245096632933E+03 -0.245553708590E+03 -0.245255603902E+03
|
||
|
-0.244152739737E+03 -0.242437280190E+03 -0.240452527526E+03 -0.238481319053E+03 -0.236623492315E+03
|
||
|
-0.234842694687E+03 -0.233065282919E+03 -0.231235282512E+03 -0.229324660972E+03 -0.227325689406E+03
|
||
|
-0.225240827832E+03 -0.223075157095E+03 -0.220832241944E+03 -0.218512854915E+03 -0.216115432225E+03
|
||
|
-0.213637228584E+03 -0.211075457036E+03 -0.208428126622E+03 -0.205694514059E+03 -0.202875346059E+03
|
||
|
-0.199972782949E+03 -0.196990275507E+03 -0.193932367816E+03 -0.190804464378E+03 -0.187612604771E+03
|
||
|
-0.184363238849E+03 -0.181063009914E+03 -0.177718616437E+03 -0.174336632833E+03 -0.170923428385E+03
|
||
|
-0.167485109717E+03 -0.164027512723E+03 -0.160556242048E+03 -0.157076736237E+03 -0.153594361576E+03
|
||
|
-0.150114484675E+03 -0.146642518802E+03 -0.143183908515E+03 -0.139744040690E+03 -0.136328082266E+03
|
||
|
-0.132940764595E+03 -0.129586161308E+03 -0.126267528346E+03 -0.122987286557E+03 -0.119747206951E+03
|
||
|
-0.116548799984E+03 -0.113393809698E+03 -0.110284649744E+03 -0.107224587140E+03 -0.104217609919E+03
|
||
|
-0.101268017609E+03 -0.983799282866E+02 -0.955568585746E+02 -0.928014936344E+02 -0.901156389487E+02
|
||
|
-0.875003091969E+02 -0.849558697783E+02 -0.824821793056E+02 -0.800786968412E+02 -0.777445454925E+02
|
||
|
-0.754785328646E+02 -0.732791438670E+02 -0.711445211222E+02 -0.690724618693E+02 -0.670604433269E+02
|
||
|
-0.651056946259E+02 -0.632053127680E+02 -0.613564095639E+02 -0.595562674235E+02 -0.578024792217E+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 -0.425851418856E+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
|
||
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|
||
|
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
|
||
|
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|
||
|
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|
||
|
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|
||
|
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
|
||
|
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||
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|
||
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0.919227844048E-05 0.448109350000E-05 0.213220942817E-05 0.989570333824E-06 0.447619459152E-06
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||
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|
||
|
0.213507628996E-08 0.787830285709E-09 0.281274780402E-09 0.970584552925E-10
|
||
|
local pseudopotential core
|
||
|
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||
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||
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||
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|
||
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|
||
|
pspotential valence only
|
||
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||
|
-0.274956683317E+03 -0.274954469785E+03 -0.274952109648E+03 -0.274949593231E+03 -0.274946910221E+03
|
||
|
-0.274944049623E+03 -0.274940999715E+03 -0.274937748002E+03 -0.274934281163E+03 -0.274930584999E+03
|
||
|
-0.274926644371E+03 -0.274922443142E+03 -0.274917964110E+03 -0.274913188937E+03 -0.274908098077E+03
|
||
|
-0.274902670690E+03 -0.274896884565E+03 -0.274890716024E+03 -0.274884139829E+03 -0.274877129075E+03
|
||
|
-0.274869655085E+03 -0.274861687292E+03 -0.274853193113E+03 -0.274844137819E+03 -0.274834484392E+03
|
||
|
-0.274824193377E+03 -0.274813222720E+03 -0.274801527598E+03 -0.274789060239E+03 -0.274775769727E+03
|
||
|
-0.274761601798E+03 -0.274746498619E+03 -0.274730398554E+03 -0.274713235919E+03 -0.274694940716E+03
|
||
|
-0.274675438349E+03 -0.274654649329E+03 -0.274632488951E+03 -0.274608866958E+03 -0.274583687177E+03
|
||
|
-0.274556847138E+03 -0.274528237666E+03 -0.274497742442E+03 -0.274465237548E+03 -0.274430590969E+03
|
||
|
-0.274393662078E+03 -0.274354301079E+03 -0.274312348415E+03 -0.274267634148E+03 -0.274219977291E+03
|
||
|
-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
|
||
|
-0.273436369816E+03 -0.273334158602E+03 -0.273225259153E+03 -0.273109238583E+03 -0.272985636641E+03
|
||
|
-0.272853964069E+03 -0.272713700880E+03 -0.272564294545E+03 -0.272405158086E+03 -0.272235668082E+03
|
||
|
-0.272055162579E+03 -0.271862938903E+03 -0.271658251381E+03 -0.271440308963E+03 -0.271208272748E+03
|
||
|
-0.270961253423E+03 -0.270698308607E+03 -0.270418440116E+03 -0.270120591141E+03 -0.269803643367E+03
|
||
|
-0.269466414023E+03 -0.269107652890E+03 -0.268726039284E+03 -0.268320179019E+03 -0.267888601391E+03
|
||
|
-0.267429756204E+03 -0.266942010870E+03 -0.266423647629E+03 -0.265872860926E+03 -0.265287755012E+03
|
||
|
-0.264666341820E+03 -0.264006539201E+03 -0.263306169592E+03 -0.262562959222E+03 -0.261774537962E+03
|
||
|
-0.260938439947E+03 -0.260052105113E+03 -0.259112881808E+03 -0.258118030668E+03 -0.257064729951E+03
|
||
|
-0.255950082578E+03 -0.254771125117E+03 -0.253524839018E+03 -0.252208164402E+03 -0.250818016765E+03
|
||
|
-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
|
||
|
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
|
||
|
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
|
||
|
0.592129487023E-06 0.631264736009E-06 0.672986526221E-06 0.717465808204E-06 0.764884831007E-06
|
||
|
0.815437888931E-06 0.869332117625E-06 0.926788342794E-06 0.988041985002E-06 0.105334402428E-05
|
||
|
0.112296202849E-05 0.119718124962E-05 0.127630579260E-05 0.136065986130E-05 0.145058908691E-05
|
||
|
0.154646194413E-05 0.164867126094E-05 0.175763582810E-05 0.187380211517E-05 0.199764609975E-05
|
||
|
0.212967521777E-05 0.227043044263E-05 0.242048850171E-05 0.258046423942E-05 0.275101313641E-05
|
||
|
0.293283399527E-05 0.312667180377E-05 0.333332078721E-05 0.355362766268E-05 0.378849510825E-05
|
||
|
0.403888546150E-05 0.430582466246E-05 0.459040645715E-05 0.489379687895E-05 0.521723902608E-05
|
||
|
0.556205815486E-05 0.592966710959E-05 0.632157211123E-05 0.673937892869E-05 0.718479945791E-05
|
||
|
0.765965873582E-05 0.816590241775E-05 0.870560474901E-05 0.928097706331E-05 0.989437684283E-05
|
||
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|
||
|
0.145263592330E-04 0.154864356297E-04 0.165099650233E-04 0.176011410715E-04 0.187644345866E-04
|
||
|
0.200046118520E-04 0.213267541476E-04 0.227362785668E-04 0.242389602083E-04 0.258409558341E-04
|
||
|
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||
|
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|
||
|
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||
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||
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||
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||
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||
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||
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||
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||
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|
||
|
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|
||
|
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|
||
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0.176395500813E-02 0.188045742305E-02 0.200464862271E-02 0.213703525702E-02 0.227815725419E-02
|
||
|
0.242858999183E-02 0.258894660779E-02 0.275988045927E-02 0.294208773952E-02 0.313631026183E-02
|
||
|
0.334333842106E-02 0.356401434368E-02 0.379923523765E-02 0.404995695430E-02 0.431719777495E-02
|
||
|
0.460204243562E-02 0.490564640401E-02 0.522924042337E-02 0.557413533899E-02 0.594172722343E-02
|
||
|
0.633350281754E-02 0.675104530504E-02 0.719604043914E-02 0.767028304050E-02 0.817568388648E-02
|
||
|
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||
|
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|
||
|
0.164783320865E-01 0.175602616614E-01 0.187127235655E-01 0.199402469723E-01 0.212476424481E-01
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||
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||
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||
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||
|
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|
||
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||
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||
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||
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||
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||
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|
||
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|
||
|
0.576931635480E+00 0.603218657036E+00 0.629873101284E+00 0.656779594748E+00 0.683804753634E+00
|
||
|
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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||
|
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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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||
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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
|
||
|
0.268013866419E+00 0.238706722014E+00 0.211648221870E+00 0.186793086209E+00 0.164079011179E+00
|
||
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||
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0.677277223858E-01 0.573254267313E-01 0.482319229867E-01 0.403315819915E-01 0.335114505382E-01
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||
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0.276623758919E-01 0.226799609463E-01 0.184653485664E-01 0.149258364118E-01 0.119753266841E-01
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||
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|
||
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0.269619838689E-02 0.203964763234E-02 0.152848690793E-02 0.113435339791E-02 0.833463427743E-03
|
||
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0.606096476566E-03 0.436086952576E-03 0.310336479086E-03 0.218356548929E-03 0.151848829451E-03
|
||
|
0.104327717905E-03 0.707873189123E-04 0.474129290845E-04 0.313354354175E-04
|
||
|
ae wavefunction
|
||
|
-0.257107732304E-05 -0.272492683016E-05 -0.288733736866E-05 -0.305882447763E-05 -0.323993318884E-05
|
||
|
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|
||
|
-0.456335801718E-05 -0.482996635963E-05 -0.511186086547E-05 -0.540994835023E-05 -0.572518912560E-05
|
||
|
-0.605860025787E-05 -0.641125907527E-05 -0.678430683870E-05 -0.717895268633E-05 -0.759647779241E-05
|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
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|
||
|
-0.152344475577E-02 -0.161811223752E-02 -0.171869619319E-02 -0.182556515390E-02 -0.193911023977E-02
|
||
|
-0.205974649717E-02 -0.218791431004E-02 -0.232408088869E-02 -0.246874183992E-02 -0.262242282229E-02
|
||
|
-0.278568129014E-02 -0.295910833065E-02 -0.314333059796E-02 -0.333901234846E-02 -0.354685758140E-02
|
||
|
-0.376761228950E-02 -0.400206682342E-02 -0.425105837490E-02 -0.451547358276E-02 -0.479625126616E-02
|
||
|
-0.509438528954E-02 -0.541092756351E-02 -0.574699118585E-02 -0.610375372666E-02 -0.648246066165E-02
|
||
|
-0.688442895705E-02 -0.731105080962E-02 -0.776379754482E-02 -0.824422367556E-02 -0.875397112403E-02
|
||
|
-0.929477360784E-02 -0.986846119170E-02 -0.104769650046E-01 -0.111223221222E-01 -0.118066806123E-01
|
||
|
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|
||
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|
||
|
-0.226505389810E-01 -0.240184038043E-01 -0.254658529720E-01 -0.269971934932E-01 -0.286169327641E-01
|
||
|
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|
||
|
-0.404708705075E-01 -0.428536406893E-01 -0.453687478380E-01 -0.480227369852E-01 -0.508223970686E-01
|
||
|
-0.537747617515E-01 -0.568871091790E-01 -0.601669605351E-01 -0.636220772518E-01 -0.672604567163E-01
|
||
|
-0.710903263036E-01 -0.751201355563E-01 -0.793585463165E-01 -0.838144206068E-01 -0.884968060415E-01
|
||
|
-0.934149185386E-01 -0.985781220908E-01 -0.103995905342E+00 -0.109677854705E+00 -0.115633623739E+00
|
||
|
-0.121872898513E+00 -0.128405358646E+00 -0.135240633735E+00 -0.142388254852E+00 -0.149857600811E+00
|
||
|
-0.157657838879E+00 -0.165797859639E+00 -0.174286205676E+00 -0.183130993812E+00 -0.192339830592E+00
|
||
|
-0.201919720759E+00 -0.211876968477E+00 -0.222217071088E+00 -0.232944605218E+00 -0.244063105108E+00
|
||
|
-0.255574933071E+00 -0.267481142056E+00 -0.279781330358E+00 -0.292473488590E+00 -0.305553839120E+00
|
||
|
-0.319016668293E+00 -0.332854151833E+00 -0.347056173994E+00 -0.361610141141E+00 -0.376500790610E+00
|
||
|
-0.391709995878E+00 -0.407216569285E+00 -0.422996063729E+00 -0.439020575031E+00 -0.455258546838E+00
|
||
|
-0.471674580167E+00 -0.488229249807E+00 -0.504878929827E+00 -0.521575630312E+00 -0.538266847107E+00
|
||
|
-0.554895425859E+00 -0.571399440978E+00 -0.587712089616E+00 -0.603761600790E+00 -0.619471160411E+00
|
||
|
-0.634758854793E+00 -0.649537638014E+00 -0.663715331715E+00 -0.677194668929E+00 -0.689873395399E+00
|
||
|
-0.701644441871E+00 -0.712396178678E+00 -0.722012759577E+00 -0.730374556020E+00 -0.737358678057E+00
|
||
|
-0.742839575072E+00 -0.746689710045E+00 -0.748780303901E+00 -0.748982149030E+00 -0.747166492952E+00
|
||
|
-0.743205992734E+00 -0.736975739380E+00 -0.728354349737E+00 -0.717225121805E+00 -0.703477248164E+00
|
||
|
-0.687007081311E+00 -0.667719443785E+00 -0.645528975136E+00 -0.620361506607E+00 -0.592155453067E+00
|
||
|
-0.560863210274E+00 -0.526452543671E+00 -0.488907953004E+00 -0.448231994977E+00 -0.404446543836E+00
|
||
|
-0.357593967744E+00 -0.307738196650E+00 -0.254965655775E+00 -0.199386037935E+00 -0.141132887831E+00
|
||
|
-0.803639727902E-01 -0.172614169465E-01 0.479684207457E-01 0.115095341082E+00 0.183865987421E+00
|
||
|
0.254004837098E+00 0.325215535143E+00 0.397182626856E+00 0.469573769329E+00 0.542042501245E+00
|
||
|
0.614231563319E+00 0.685776514424E+00 0.756308969185E+00 0.825458404464E+00 0.892851711311E+00
|
||
|
0.958110997900E+00 0.102085222404E+01 0.108068814262E+01 0.113723659318E+01 0.119013099605E+01
|
||
|
0.123902886258E+01 0.128361699635E+01 0.132361460091E+01 0.135877575602E+01 0.138889195380E+01
|
||
|
0.141379476850E+01 0.143335844240E+01 0.144750209296E+01 0.145619127529E+01 0.145943873418E+01
|
||
|
0.145730427644E+01 0.144989378493E+01 0.143735744294E+01 0.141988726759E+01 0.139771405430E+01
|
||
|
0.137110383878E+01 0.134035397904E+01 0.130578894732E+01 0.126775592414E+01 0.122662026838E+01
|
||
|
0.118276094010E+01 0.113656593382E+01 0.108842778216E+01 0.103873917624E+01 0.987888750124E+00
|
||
|
0.936257070260E+00 0.884212872931E+00 0.832109591206E+00 0.780282216024E+00 0.729044531462E+00
|
||
|
0.678686762411E+00 0.629473665263E+00 0.581643076730E+00 0.535404920577E+00 0.490940653690E+00
|
||
|
0.448403116538E+00 0.407916742326E+00 0.369578077146E+00 0.333456571820E+00 0.299595623605E+00
|
||
|
0.268013866419E+00 0.238706722014E+00 0.211648221870E+00 0.186793086209E+00 0.164079011179E+00
|
||
|
0.143429081820E+00 0.124754214631E+00 0.107955542172E+00 0.929266773937E-01 0.795558241981E-01
|
||
|
0.677277223858E-01 0.573254267313E-01 0.482319229867E-01 0.403315819915E-01 0.335114505382E-01
|
||
|
0.276623758919E-01 0.226799609463E-01 0.184653485664E-01 0.149258364118E-01 0.119753266841E-01
|
||
|
0.953461834249E-02 0.753155188536E-02 0.590101874989E-02 0.458484878070E-02 0.353159030915E-02
|
||
|
0.269619838689E-02 0.203964763234E-02 0.152848690793E-02 0.113435339791E-02 0.833463427743E-03
|
||
|
0.606096476566E-03 0.436086952576E-03 0.310336479086E-03 0.218356548929E-03 0.151848829451E-03
|
||
|
0.104327717905E-03 0.707873189123E-04 0.474129290845E-04 0.313354354175E-04
|
||
|
pseudo wavefunction
|
||
|
-0.312947396440E-08 -0.333630840376E-08 -0.355681302712E-08 -0.379189132969E-08 -0.404250652086E-08
|
||
|
-0.430968547082E-08 -0.459452291807E-08 -0.489818595499E-08 -0.522191880991E-08 -0.556704794517E-08
|
||
|
-0.593498749217E-08 -0.632724504565E-08 -0.674542784088E-08 -0.719124933916E-08 -0.766653624854E-08
|
||
|
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ae wavefunction
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||
|
-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
|
||
|
-0.473448754710E-02 -0.488415444312E-02 -0.503848352582E-02 -0.519761547505E-02 -0.536169491339E-02
|
||
|
-0.553087049603E-02 -0.570529500135E-02 -0.588512542179E-02 -0.607052305520E-02 -0.626165359617E-02
|
||
|
-0.645868722739E-02 -0.666179871088E-02 -0.687116747868E-02 -0.708697772300E-02 -0.730941848548E-02
|
||
|
-0.753868374532E-02 -0.777497250596E-02 -0.801848888015E-02 -0.826944217288E-02 -0.852804696191E-02
|
||
|
-0.879452317561E-02 -0.906909616748E-02 -0.935199678712E-02 -0.964346144696E-02 -0.994373218446E-02
|
||
|
-0.102530567191E-01 -0.105716885033E-01 -0.108998867674E-01 -0.112379165572E-01 -0.115860487631E-01
|
||
|
-0.119445601421E-01 -0.123137333285E-01 -0.126938568356E-01 -0.130852250450E-01 -0.134881381846E-01
|
||
|
-0.139029022921E-01 -0.143298291645E-01 -0.147692362914E-01 -0.152214467714E-01 -0.156867892099E-01
|
||
|
-0.161655975963E-01 -0.166582111600E-01 -0.171649742033E-01 -0.176862359087E-01 -0.182223501190E-01
|
||
|
-0.187736750894E-01 -0.193405732074E-01 -0.199234106801E-01 -0.205225571854E-01 -0.211383854853E-01
|
||
|
-0.217712709983E-01 -0.224215913282E-01 -0.230897257463E-01 -0.237760546248E-01 -0.244809588165E-01
|
||
|
-0.252048189790E-01 -0.259480148390E-01 -0.267109243937E-01 -0.274939230443E-01 -0.282973826588E-01
|
||
|
-0.291216705591E-01 -0.299671484281E-01 -0.308341711324E-01 -0.317230854558E-01 -0.326342287384E-01
|
||
|
-0.335679274163E-01 -0.345244954571E-01 -0.355042326841E-01 -0.365074229862E-01 -0.375343324047E-01
|
||
|
-0.385852070934E-01 -0.396602711442E-01 -0.407597242738E-01 -0.418837393625E-01 -0.430324598416E-01
|
||
|
-0.442059969207E-01 -0.454044266495E-01 -0.466277868067E-01 -0.478760736105E-01 -0.491492382434E-01
|
||
|
-0.504471831848E-01 -0.517697583466E-01 -0.531167570034E-01 -0.544879115142E-01 -0.558828888282E-01
|
||
|
-0.573012857713E-01 -0.587426241074E-01 -0.602063453724E-01 -0.616918054760E-01 -0.631982690704E-01
|
||
|
-0.647249036848E-01 -0.662707736233E-01 -0.678348336308E-01 -0.694159223260E-01 -0.710127554074E-01
|
||
|
-0.726239186380E-01 -0.742478606158E-01 -0.758828853408E-01 -0.775271445903E-01 -0.791786301183E-01
|
||
|
-0.808351656960E-01 -0.824943990161E-01 -0.841537934840E-01 -0.858106199260E-01 -0.874619482458E-01
|
||
|
-0.891046390679E-01 -0.907353354089E-01 -0.923504544241E-01 -0.939461792825E-01 -0.955184512290E-01
|
||
|
-0.970629618989E-01 -0.985751459553E-01 -0.100050174131E+00 -0.101482946758E+00 -0.102868087882E+00
|
||
|
-0.104199940063E+00 -0.105472559973E+00 -0.106679714912E+00 -0.107814880367E+00 -0.108871238766E+00
|
||
|
-0.109841679552E+00 -0.110718800763E+00 -0.111494912260E+00 -0.112162040797E+00 -0.112711937117E+00
|
||
|
-0.113136085263E+00 -0.113425714315E+00 -0.113571812768E+00 -0.113565145764E+00 -0.113396275411E+00
|
||
|
-0.113055584425E+00 -0.112533303311E+00 -0.111819541356E+00 -0.110904321632E+00 -0.109777620276E+00
|
||
|
-0.108429410260E+00 -0.106849709886E+00 -0.105028636197E+00 -0.102956463524E+00 -0.100623687329E+00
|
||
|
-0.980210934920E-01 -0.951398331799E-01 -0.919715033656E-01 -0.885082330558E-01 -0.847427752199E-01
|
||
|
-0.806686043678E-01 -0.762800196596E-01 -0.715722533663E-01 -0.665415844209E-01 -0.611854567196E-01
|
||
|
-0.555026017367E-01 -0.494931649176E-01 -0.431588351974E-01 -0.365029768727E-01 -0.295307629133E-01
|
||
|
-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
|
||
|
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
|
||
|
-0.400182523452E-01 -0.622295891285E-01 -0.847063985228E-01 -0.107287441601E+00 -0.129803213111E+00
|
||
|
-0.152077392212E+00 -0.173928458051E+00 -0.195171283662E+00 -0.215618409833E+00 -0.235080754856E+00
|
||
|
-0.253367880697E+00 -0.270288515734E+00 -0.285652289971E+00 -0.299272970047E+00 -0.310972320227E+00
|
||
|
-0.320583425611E+00 -0.327953096540E+00 -0.332943668406E+00 -0.335434576925E+00 -0.335323876566E+00
|
||
|
-0.332529700680E+00 -0.326991585010E+00 -0.318671560485E+00 -0.307554936176E+00 -0.293650726729E+00
|
||
|
-0.276991709793E+00 -0.257634125983E+00 -0.235657048443E+00 -0.211161457598E+00 -0.184269058174E+00
|
||
|
-0.155120876525E+00 -0.123875674709E+00 -0.907082147117E-01 -0.558074052121E-01 -0.193743595700E-01
|
||
|
0.183796075391E-01 0.572350199137E-01 0.969662917195E-01 0.137343767679E+00 0.178135727368E+00
|
||
|
0.219110328762E+00 0.260037466075E+00 0.300690517883E+00 0.340847965056E+00 0.380294863199E+00
|
||
|
0.418824163717E+00 0.456237886225E+00 0.492348154009E+00 0.526978109034E+00 0.559962719266E+00
|
||
|
0.591149480222E+00 0.620398990587E+00 0.647585358842E+00 0.672596380342E+00 0.695333429755E+00
|
||
|
0.715711052076E+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
|
||
|
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
|
||
|
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
|
||
|
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
|
||
|
-0.448700125781E-02 -0.463015743466E-02 -0.477785955934E-02 -0.493025059910E-02 -0.508747792560E-02
|
||
|
-0.524969344438E-02 -0.541705372787E-02 -0.558972015170E-02 -0.576785903464E-02 -0.595164178208E-02
|
||
|
-0.614124503310E-02 -0.633685081134E-02 -0.653864667946E-02 -0.674682589752E-02 -0.696158758511E-02
|
||
|
-0.718313688740E-02 -0.741168514509E-02 -0.764745006830E-02 -0.789065591450E-02 -0.814153367035E-02
|
||
|
-0.840032123765E-02 -0.866726362331E-02 -0.894261313334E-02 -0.922662957093E-02 -0.951958043849E-02
|
||
|
-0.982174114383E-02 -0.101333952102E-01 -0.104548344903E-01 -0.107863593845E-01 -0.111282790620E-01
|
||
|
-0.114809116872E-01 -0.118445846483E-01 -0.122196347901E-01 -0.126064086506E-01 -0.130052627000E-01
|
||
|
-0.134165635835E-01 -0.138406883671E-01 -0.142780247852E-01 -0.147289714921E-01 -0.151939383142E-01
|
||
|
-0.156733465055E-01 -0.161676290038E-01 -0.166772306882E-01 -0.172026086381E-01 -0.177442323919E-01
|
||
|
-0.183025842060E-01 -0.188781593129E-01 -0.194714661784E-01 -0.200830267573E-01 -0.207133767457E-01
|
||
|
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||
|
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|
||
|
End of Dataset
|