PAW_PBE O 08Apr2002
6.00000000000000
parameters from PSCTR are:
VRHFIN =O: s2p4
LEXCH = PE
EATOM = 432.3788 eV, 31.7789 Ry
TITEL = PAW_PBE O 08Apr2002
LULTRA = F use ultrasoft PP ?
IUNSCR = 1 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 1.200 partial core radius
POMASS = 16.000; ZVAL = 6.000 mass and valenz
RCORE = 1.520 outmost cutoff radius
RWIGS = 1.550; RWIGS = 0.820 wigner-seitz radius (au A)
ENMAX = 400.000; ENMIN = 300.000 eV
ICORE = 2 local potential
LCOR = T correct aug charges
LPAW = T paw PP
EAUG = 605.392
DEXC = 0.000
RMAX = 1.553 core radius for proj-oper
RAUG = 1.300 factor for augmentation sphere
RDEP = 1.550 radius for radial grids
RDEPT = 1.329 core radius for aug-charge
Atomic configuration
4 entries
n l j E occ.
1 0 0.50 -514.6923 2.0000
2 0 0.50 -23.9615 2.0000
2 1 0.50 -9.0305 4.0000
3 2 1.50 -9.5241 0.0000
Description
l E TYP RCUT TYP RCUT
0 -23.9615318 23 1.200
0 -9.5240782 23 1.200
1 -9.0304911 23 1.520
1 8.1634956 23 1.520
2 -9.5240782 7 1.500
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
163. 160. 159. 156. 154. 151. 148. 146.
142. 139. 137. 134. 130. 126. 123. 119.
115. 111. 108. 102. 98.8 95.2 90.0 86.6
83.2 78.3 73.5 70.4 65.9 61.6 57.4 53.4
49.6 46.0 42.6 39.3 35.3 32.4 28.9 26.4
23.4 20.6 18.1 15.8 13.7 11.9 10.3 8.47
7.22 5.87 4.73 3.95 3.13 2.45 1.80 1.37
1.03 0.721 0.493 0.329 0.215 0.138 0.882E-01 0.534E-01
0.367E-01 0.267E-01 0.223E-01 0.205E-01 0.193E-01 0.181E-01 0.162E-01 0.138E-01
0.112E-01 0.878E-02 0.646E-02 0.490E-02 0.370E-02 0.300E-02 0.259E-02 0.238E-02
0.219E-02 0.196E-02 0.167E-02 0.132E-02 0.100E-02 0.764E-03 0.617E-03 0.544E-03
0.522E-03 0.507E-03 0.467E-03 0.403E-03 0.312E-03 0.236E-03 0.181E-03 0.157E-03
0.152E-03 0.150E-03 0.139E-03 0.118E-03
END of PSCTR-controll parameters
local part
122.832189257630
0.23159076E+02 0.23156323E+02 0.23152891E+02 0.23147171E+02 0.23139165E+02
0.23128873E+02 0.23116296E+02 0.23101432E+02 0.23084278E+02 0.23064830E+02
0.23043078E+02 0.23019012E+02 0.22992619E+02 0.22963881E+02 0.22932780E+02
0.22899292E+02 0.22863394E+02 0.22825057E+02 0.22784252E+02 0.22740947E+02
0.22695106E+02 0.22646690E+02 0.22595660E+02 0.22541970E+02 0.22485572E+02
0.22426415E+02 0.22364442E+02 0.22299595E+02 0.22231811E+02 0.22161023E+02
0.22087162E+02 0.22010155E+02 0.21929927E+02 0.21846399E+02 0.21759491E+02
0.21669120E+02 0.21575204E+02 0.21477655E+02 0.21376389E+02 0.21271317E+02
0.21162354E+02 0.21049412E+02 0.20932407E+02 0.20811254E+02 0.20685873E+02
0.20556184E+02 0.20422114E+02 0.20283592E+02 0.20140552E+02 0.19992934E+02
0.19840684E+02 0.19683757E+02 0.19522111E+02 0.19355716E+02 0.19184549E+02
0.19008597E+02 0.18827857E+02 0.18642337E+02 0.18452054E+02 0.18257039E+02
0.18057334E+02 0.17852993E+02 0.17644083E+02 0.17430684E+02 0.17212889E+02
0.16990805E+02 0.16764551E+02 0.16534262E+02 0.16300082E+02 0.16062173E+02
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0.75776079E+00 0.75188527E+00 0.74600545E+00 0.74013186E+00 0.73427518E+00
0.72844613E+00 0.72265536E+00 0.71691337E+00 0.71123040E+00 0.70561634E+00
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0.65066336E+00 0.64642275E+00 0.64231779E+00 0.63834759E+00 0.63451038E+00
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0.59980765E+00 0.59716514E+00 0.59457353E+00 0.59202421E+00 0.58950861E+00
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0.56185400E+00 0.55917889E+00 0.55645829E+00 0.55369014E+00 0.55087311E+00
0.54800654E+00 0.54509046E+00 0.54212556E+00 0.53911318E+00 0.53605530E+00
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0.72631089E-01 0.72521667E-01 0.72412679E-01 0.72303780E-01 0.72194632E-01
gradient corrections used for XC
5
core charge-density (partial)
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kinetic energy density (partial)
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0.97015251E-06 0.94980830E-06 0.92391344E-06 0.89274560E-06 0.85660946E-06
0.81583425E-06 0.77077117E-06 0.72179077E-06 0.66928031E-06 0.61364093E-06
0.55528494E-06 0.49463302E-06 0.43211147E-06 0.36814942E-06 0.30317614E-06
0.23761838E-06 0.17189779E-06 0.10642840E-06 0.41614252E-07 -0.22152940E-07
-0.84495926E-07 -0.14505397E-06 -0.20348474E-06 -0.25946606E-06 -0.31269748E-06
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0.68941283E-07 0.10959143E-06 0.14878951E-06 0.18631852E-06 0.22197590E-06
0.25557458E-06 0.28694375E-06 0.31592969E-06 0.34239634E-06 0.36622584E-06
0.38731891E-06 0.40559510E-06 0.42099294E-06 0.43346998E-06 0.44300268E-06
0.44958621E-06 0.45323413E-06 0.45397795E-06 0.45186662E-06 0.44696592E-06
0.43935768E-06 0.42913907E-06 0.41642161E-06 0.40133032E-06 0.38400262E-06
0.36458730E-06 0.34324338E-06 0.32013892E-06 0.29544987E-06 0.26935876E-06
0.24205353E-06 0.21372623E-06 0.18457177E-06 0.15478664E-06 0.12456772E-06
0.94111017E-07 0.63610470E-07 0.33256812E-07 0.32364356E-08 -0.26269679E-07
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0.43660027E-07 0.63313332E-07 0.82242455E-07 0.10034184E-06 0.11751286E-06
0.13366427E-06 0.14871269E-06 0.16258297E-06 0.17520849E-06 0.18653148E-06
0.19650319E-06 0.20508406E-06 0.21224378E-06 0.21796138E-06 0.22222513E-06
0.22503254E-06 0.22639016E-06 0.22631341E-06 0.22482634E-06 0.22196135E-06
0.21775882E-06 0.21226678E-06 0.20554044E-06 0.19764175E-06 0.18863890E-06
0.17860583E-06 0.16762163E-06 0.15577001E-06 0.14313867E-06 0.12981872E-06
0.11590408E-06 0.10149079E-06 0.86676465E-07 0.71559597E-07 0.56238975E-07
0.40813056E-07 0.25379365E-07 0.10033908E-07 -0.51293959E-08 -0.20019260E-07
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0.27389898E-07 0.37655876E-07 0.47532767E-07 0.56965148E-07 0.65901187E-07
0.74292904E-07 0.82096410E-07 0.89272116E-07 0.95784914E-07 0.10160432E-06
0.10670461E-06 0.11106488E-06 0.11466912E-06 0.11750624E-06 0.11957006E-06
0.12085928E-06 0.12137740E-06 0.12113265E-06 0.12013786E-06 0.11841029E-06
0.11597150E-06 0.11284710E-06 0.10906660E-06 0.10466311E-06 0.99673114E-07
0.94136174E-07 0.88094665E-07 0.81593458E-07 0.74679606E-07 0.67402029E-07
0.59811178E-07 0.51958703E-07 0.43897120E-07 0.35679472E-07 0.27358994E-07
0.18988783E-07 0.10621471E-07 0.23089097E-08 -0.58981411E-08 -0.13950308E-07
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0.17437127E-07 0.23145190E-07 0.28631266E-07 0.33864403E-07 0.38815637E-07
0.43458145E-07 0.47767378E-07 0.51721185E-07 0.55299914E-07 0.58486500E-07
0.61266536E-07 0.63628321E-07 0.65562902E-07 0.67064087E-07 0.68128445E-07
0.68755296E-07 0.68946669E-07 0.68707259E-07 0.68044361E-07 0.66967788E-07
0.65489777E-07 0.63624882E-07 0.61389851E-07 0.58803498E-07 0.55886551E-07
0.52661507E-07 0.49152464E-07 0.45384953E-07 0.41385761E-07 0.37182750E-07
0.32804668E-07 0.28280964E-07 0.23641595E-07 0.18916832E-07 0.14137075E-07
0.93326598E-08 0.45336709E-08 -0.23023726E-09 -0.49300196E-08 -0.95374107E-08
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-0.66521720E-08 -0.29515738E-08 0.72062322E-09 0.43420435E-08 0.78909080E-08
0.11346161E-07 0.14687592E-07 0.17895946E-07 0.20953036E-07 0.23841836E-07
0.26546574E-07 0.29052813E-07 0.31347525E-07 0.33419149E-07 0.35257650E-07
0.36854555E-07 0.38202994E-07 0.39297713E-07 0.40135093E-07 0.40713149E-07
0.41031524E-07 0.41091468E-07 0.40895811E-07 0.40448931E-07 0.39756698E-07
0.38826428E-07 0.37666817E-07 0.36287869E-07 0.34700821E-07 0.32918055E-07
0.30953010E-07 0.28820087E-07 0.26534545E-07 0.24112399E-07 0.21570312E-07
0.18925484E-07 0.16195537E-07 0.13398406E-07 0.10552219E-07 0.76751892E-08
0.47854954E-08 0.19011747E-08 -0.95998873E-09 -0.37805697E-08 -0.65436053E-08
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-0.29020975E-07 -0.30057320E-07 -0.30894962E-07 -0.31531094E-07 -0.31964184E-07
Kinetic energy density valence
0.18956303E+03 0.18932861E+03 0.18862781E+03 0.18746800E+03 0.18586123E+03
0.18382392E+03 0.18137647E+03 0.17854271E+03 0.17534940E+03 0.17182563E+03
0.16800222E+03 0.16391115E+03 0.15958498E+03 0.15505642E+03 0.15035780E+03
0.14552074E+03 0.14057575E+03 0.13555205E+03 0.13047728E+03 0.12537737E+03
0.12027645E+03 0.11519674E+03 0.11015855E+03 0.10518026E+03 0.10027837E+03
0.95467491E+02 0.90760487E+02 0.86168486E+02 0.81700992E+02 0.77365972E+02
0.73169952E+02 0.69118115E+02 0.65214402E+02 0.61461610E+02 0.57861489E+02
0.54414836E+02 0.51121591E+02 0.47980919E+02 0.44991297E+02 0.42150595E+02
0.39456147E+02 0.36904825E+02 0.34493103E+02 0.32217120E+02 0.30072734E+02
0.28055575E+02 0.26161094E+02 0.24384605E+02 0.22721327E+02 0.21166416E+02
0.19715001E+02 0.18362210E+02 0.17103200E+02 0.15933173E+02 0.14847403E+02
0.13841246E+02 0.12910164E+02 0.12049729E+02 0.11255639E+02 0.10523725E+02
0.98499598E+01 0.92304621E+01 0.86615017E+01 0.81395024E+01 0.76610443E+01
0.72228646E+01 0.68218576E+01 0.64550743E+01 0.61197208E+01 0.58131565E+01
0.55328915E+01 0.52765834E+01 0.50420339E+01 0.48271856E+01 0.46301170E+01
0.44490390E+01 0.42822900E+01 0.41283312E+01 0.39857421E+01 0.38532154E+01
0.37295520E+01 0.36136562E+01 0.35045305E+01 0.34012710E+01 0.33030619E+01
0.32091710E+01 0.31189450E+01 0.30318040E+01 0.29472379E+01 0.28648008E+01
0.27841074E+01 0.27048279E+01 0.26266844E+01 0.25494467E+01 0.24729280E+01
0.23969815E+01 0.23214968E+01 0.22463958E+01 0.21716302E+01 0.20971778E+01
0.20230395E+01 0.19492365E+01 0.18758077E+01 0.18028069E+01 0.17303006E+01
0.16583656E+01 0.15870871E+01 0.15165562E+01 0.14468689E+01 0.13781238E+01
0.13104208E+01 0.12438598E+01 0.11785391E+01 0.11145547E+01 0.10519989E+01
0.99095983E+00 0.93152016E+00 0.87375686E+00 0.81774043E+00 0.76353450E+00
0.71119544E+00 0.66077207E+00 0.61230549E+00 0.56582896E+00 0.52136783E+00
0.47893957E+00 0.43855388E+00 0.40021280E+00 0.36391092E+00 0.32963565E+00
0.29736742E+00 0.26708010E+00 0.23874130E+00 0.21231275E+00 0.18775072E+00
0.16500644E+00 0.14402653E+00 0.12475348E+00 0.10712605E+00 0.91079783E-01
0.76547449E-01 0.63459491E-01 0.51744486E-01 0.41329590E-01 0.32140965E-01
0.24104200E-01 0.17144712E-01 0.11188134E-01 0.61606790E-02 0.19894863E-02
-0.13970542E-02 -0.40690004E-02 -0.60945808E-02 -0.75399410E-02 -0.84689146E-02
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0.59846637E-02 0.69219660E-02 0.77397528E-02 0.84307611E-02 0.89900574E-02
0.94148853E-02 0.97045087E-02 0.98600503E-02 0.98843280E-02 0.97816898E-02
0.95578480E-02 0.92197147E-02 0.87752391E-02 0.82332476E-02 0.76032878E-02
0.68954772E-02 0.61203576E-02 0.52887553E-02 0.44116486E-02 0.35000428E-02
0.25648522E-02 0.16167919E-02 0.66627706E-03 -0.27666849E-03 -0.12024944E-02
-0.21021967E-02 -0.29673819E-02 -0.37903215E-02 -0.45639967E-02 -0.52821359E-02
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0.17093577E-02 0.22462471E-02 0.27506689E-02 0.32194172E-02 0.36496805E-02
0.40390523E-02 0.43855377E-02 0.46875566E-02 0.49439432E-02 0.51539420E-02
0.53172007E-02 0.54337604E-02 0.55040418E-02 0.55288298E-02 0.55092555E-02
0.54467752E-02 0.53431483E-02 0.52004134E-02 0.50208622E-02 0.48070129E-02
0.45615828E-02 0.42874594E-02 0.39876715E-02 0.36653607E-02 0.33237519E-02
0.29661247E-02 0.25957853E-02 0.22160392E-02 0.18301641E-02 0.14413849E-02
0.10528495E-02 0.66760582E-03 0.28858065E-03 -0.81439835E-04 -0.43982785E-03
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0.18456825E-03 0.37903817E-03 0.56429206E-03 0.73921888E-03 0.90282538E-03
0.10542398E-02 0.11927148E-02 0.13176288E-02 0.14284865E-02 0.15249190E-02
0.16066815E-02 0.16736517E-02 0.17258259E-02 0.17633154E-02 0.17863411E-02
0.17952284E-02 0.17904005E-02 0.17723722E-02 0.17417420E-02 0.16991846E-02
0.16454434E-02 0.15813212E-02 0.15076726E-02 0.14253950E-02 0.13354203E-02
0.12387056E-02 0.11362258E-02 0.10289642E-02 0.91790529E-03 0.80402636E-03
0.68829038E-03 0.57163886E-03 0.45498516E-03 0.33920842E-03 0.22514785E-03
0.11359767E-03 0.53024740E-05 -0.99046685E-04 -0.19881575E-03 -0.29343046E-03
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0.30332121E-04 0.74687049E-04 0.11655456E-03 0.15575917E-03 0.19215482E-03
0.22562453E-03 0.25607983E-03 0.28346000E-03 0.30773102E-03 0.32888445E-03
0.34693602E-03 0.36192419E-03 0.37390854E-03 0.38296802E-03 0.38919919E-03
0.39271434E-03 0.39363962E-03 0.39211310E-03 0.38828287E-03 0.38230513E-03
0.37434235E-03 0.36456146E-03 0.35313206E-03 0.34022484E-03 0.32600993E-03
0.31065549E-03 0.29432635E-03 0.27718275E-03 0.25937929E-03 0.24106389E-03
0.22237702E-03 0.20345095E-03 0.18440920E-03 0.16536611E-03 0.14642654E-03
0.12768569E-03 0.10922905E-03 0.91132452E-04 0.73462244E-04 0.56275569E-04
0.39620707E-04 0.23537521E-04 0.80579651E-05 -0.67933505E-05 -0.20998539E-04
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0.18560623E-04 0.17009420E-04 0.15355533E-04 0.13611454E-04 0.11790208E-04
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0.90582700E-05 0.10187294E-04 0.11229878E-04 0.12180611E-04 0.13034825E-04
0.13788620E-04 0.14438871E-04 0.14983233E-04 0.15420145E-04 0.15748820E-04
0.15969236E-04 0.16082117E-04 0.16088910E-04 0.15991759E-04 0.15793475E-04
0.15497496E-04 0.15107851E-04 0.14629115E-04 0.14066362E-04 0.13425120E-04
0.12711317E-04 0.11931228E-04 0.11091428E-04 0.10198728E-04 0.92601273E-05
0.82827583E-05 0.72738304E-05 0.62405784E-05 0.51902113E-05 0.41298618E-05
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atomic pseudo charge-density
0.60000000E+01 0.59917682E+01 0.59671789E+01 0.59265479E+01 0.58703891E+01
0.57993990E+01 0.57144341E+01 0.56164855E+01 0.55066511E+01 0.53861066E+01
0.52560766E+01 0.51178084E+01 0.49725469E+01 0.48215134E+01 0.46658876E+01
0.45067929E+01 0.43452859E+01 0.41823479E+01 0.40188803E+01 0.38557025E+01
0.36935506E+01 0.35330798E+01 0.33748662E+01 0.32194109E+01 0.30671444E+01
0.29184307E+01 0.27735730E+01 0.26328185E+01 0.24963632E+01 0.23643571E+01
0.22369087E+01 0.21140897E+01 0.19959388E+01 0.18824658E+01 0.17736551E+01
0.16694691E+01 0.15698510E+01 0.14747279E+01 0.13840130E+01 0.12976078E+01
0.12154045E+01 0.11372872E+01 0.10631344E+01 0.99281941E+00 0.92621249E+00
0.86318152E+00 0.80359314E+00 0.74731357E+00 0.69420943E+00 0.64414831E+00
0.59699943E+00 0.55263403E+00 0.51092581E+00 0.47175127E+00 0.43498999E+00
0.40052481E+00 0.36824205E+00 0.33803164E+00 0.30978717E+00 0.28340598E+00
0.25878921E+00 0.23584178E+00 0.21447237E+00 0.19459343E+00 0.17612108E+00
0.15897509E+00 0.14307879E+00 0.12835897E+00 0.11474584E+00 0.10217290E+00
0.90576829E-01 0.79897429E-01 0.70077480E-01 0.61062655E-01 0.52801404E-01
0.45244856E-01 0.38346707E-01 0.32063121E-01 0.26352623E-01 0.21176003E-01
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0.35439845E-03 0.38300229E-03 0.40486239E-03 0.42052016E-03 0.43050232E-03
0.43531967E-03 0.43546592E-03 0.43141669E-03 0.42362876E-03 0.41253931E-03
0.39856538E-03 0.38210349E-03 0.36352929E-03 0.34319738E-03 0.32144120E-03
0.29857309E-03 0.27488433E-03 0.25064534E-03 0.22610595E-03 0.20149575E-03
0.17702443E-03 0.15288229E-03 0.12924076E-03 0.10625289E-03 0.84054059E-04
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0.25032773E-04 0.28310509E-04 0.31194521E-04 0.33683069E-04 0.35777365E-04
0.37481420E-04 0.38801874E-04 0.39747818E-04 0.40330616E-04 0.40563712E-04
0.40462441E-04 0.40043826E-04 0.39326386E-04 0.38329936E-04 0.37075385E-04
0.35584547E-04 0.33879942E-04 0.31984611E-04 0.29921930E-04 0.27715431E-04
0.25388635E-04 0.22964882E-04 0.20467181E-04 0.17918062E-04 0.15339436E-04
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0.49359292E-05 0.57917773E-05 0.65722154E-05 0.72734700E-05 0.78924998E-05
0.84269965E-05 0.88753790E-05 0.92367833E-05 0.95110471E-05 0.96986898E-05
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0.70168789E+02 0.67922040E+02 0.65178166E+02 0.61950230E+02 0.58253544E+02
0.54105643E+02 0.49526233E+02 0.44537121E+02 0.39162102E+02 0.33426781E+02
0.27358106E+02 0.20988078E+02 0.14403808E+02 0.78135515E+01 0.54828021E+01
0.30319876E+01 0.73903934E+00 -0.13781338E+01 -0.32966046E+01 -0.49906577E+01
-0.64364895E+01 -0.76126001E+01 -0.84998240E+01 -0.90814839E+01 -0.93434176E+01
-0.92740757E+01 -0.88646055E+01 -0.81086220E+01 -0.70024146E+01 -0.55488382E+01
-0.37308263E+01 -0.15372463E+01 0.15876904E+00 -0.23537974E-01 0.00000000E+00
Reciprocal Space Part
0.13438082E+02 0.13371799E+02 0.13173527E+02 0.12844992E+02 0.12389061E+02
0.11809723E+02 0.11112073E+02 0.10302273E+02 0.93875223E+01 0.83760049E+01
0.72768379E+01 0.61000053E+01 0.48562832E+01 0.35571548E+01 0.22147146E+01
0.84156251E+00 -0.54931223E+00 -0.19446569E+01 -0.33310895E+01 -0.46952405E+01
-0.60239006E+01 -0.73041728E+01 -0.85236267E+01 -0.96704521E+01 -0.10733611E+02
-0.11702984E+02 -0.12569510E+02 -0.13325309E+02 -0.13963805E+02 -0.14479818E+02
-0.14869647E+02 -0.15131130E+02 -0.15263684E+02 -0.15268316E+02 -0.15147617E+02
-0.14905722E+02 -0.14548255E+02 -0.14082243E+02 -0.13516007E+02 -0.12859031E+02
-0.12121816E+02 -0.11315711E+02 -0.10452729E+02 -0.95453610E+01 -0.86063686E+01
-0.76485856E+01 -0.66847120E+01 -0.57271153E+01 -0.47876388E+01 -0.38774215E+01
-0.30067335E+01 -0.21848295E+01 -0.14198232E+01 -0.71858500E+00 -0.86665233E-01
0.47175692E+00 0.95389708E+00 0.13583625E+01 0.16851226E+01 0.19354534E+01
0.21118597E+01 0.22179742E+01 0.22584388E+01 0.22387694E+01 0.21652085E+01
0.20445684E+01 0.18840693E+01 0.16911747E+01 0.14734297E+01 0.12383042E+01
0.99304450E+00 0.74453637E+00 0.49918298E+00 0.26279861E+00 0.40520759E-01
-0.16325832E+00 -0.34493986E+00 -0.50174643E+00 -0.63172949E+00 -0.73375760E+00
-0.80748615E+00 -0.85331054E+00 -0.87230447E+00 -0.86614562E+00 -0.83703131E+00
-0.78758645E+00 -0.72076673E+00 -0.63975949E+00 -0.54788503E+00 -0.44850080E+00
-0.34491069E+00 -0.24028156E+00 -0.13756876E+00 -0.39451932E-01 0.51717551E-01
0.13395703E+00 0.20568037E+00 0.26571322E+00 0.31329598E+00 0.34807519E+00
Real Space Part
-0.26440140E+03 -0.26419157E+03 -0.26356268E+03 -0.26251653E+03 -0.26105610E+03
-0.25918557E+03 -0.25691026E+03 -0.25423661E+03 -0.25117220E+03 -0.24772565E+03
-0.24390660E+03 -0.23972571E+03 -0.23519457E+03 -0.23032565E+03 -0.22513229E+03
-0.21962860E+03 -0.21382944E+03 -0.20775035E+03 -0.20140750E+03 -0.19481764E+03
-0.18799804E+03 -0.18096643E+03 -0.17374096E+03 -0.16634014E+03 -0.15878281E+03
-0.15108808E+03 -0.14327527E+03 -0.13536391E+03 -0.12737366E+03 -0.11932429E+03
-0.11123565E+03 -0.10312763E+03 -0.95020131E+02 -0.86933045E+02 -0.78886210E+02
-0.70899396E+02 -0.62992277E+02 -0.55184404E+02 -0.47495180E+02 -0.39943835E+02
-0.32549398E+02 -0.25330667E+02 -0.18306177E+02 -0.11494171E+02 -0.49125584E+01
0.14211241E+01 0.74897543E+01 0.13276675E+02 0.18765745E+02 0.23941399E+02
0.28788707E+02 0.33293442E+02 0.37442151E+02 0.41222235E+02 0.44622021E+02
0.47630853E+02 0.50239175E+02 0.52438618E+02 0.54222093E+02 0.55583874E+02
0.56519692E+02 0.57026816E+02 0.57104132E+02 0.56752220E+02 0.55973417E+02
0.54771872E+02 0.53153594E+02 0.51126479E+02 0.48700329E+02 0.45886846E+02
0.42699620E+02 0.39154083E+02 0.35267457E+02 0.31058667E+02 0.26548187E+02
0.21757674E+02 0.16712921E+02 0.11483820E+02 0.62370447E+01 0.43817603E+01
0.24259588E+01 0.59199765E+00 -0.11051557E+01 -0.26464613E+01 -0.40106010E+01
-0.51777428E+01 -0.61298692E+01 -0.68508148E+01 -0.73264031E+01 -0.75444804E+01
-0.74950057E+01 -0.71701288E+01 -0.65640147E+01 -0.56730193E+01 -0.44988594E+01
-0.30270969E+01 -0.12481544E+01 0.12893219E+00 -0.19114573E-01 0.00000000E+00
Non local Part
1 2 0.821728989630451
6.12884221516646 -10.2499971659541 -10.2499971659541
16.6355590099336
Reciprocal Space Part
0.00000000E+00 0.77436640E+00 0.15346617E+01 0.22670851E+01 0.29583701E+01
0.35960384E+01 0.41686362E+01 0.46659502E+01 0.50791971E+01 0.54011839E+01
0.56264349E+01 0.57512844E+01 0.57739311E+01 0.56944559E+01 0.55148009E+01
0.52387121E+01 0.48716457E+01 0.44206422E+01 0.38941691E+01 0.33019384E+01
0.26547007E+01 0.19640223E+01 0.12420490E+01 0.50126270E+00 -0.24576442E+00
-0.98661314E+00 -0.17092523E+01 -0.24022608E+01 -0.30550335E+01 -0.36579643E+01
-0.42026060E+01 -0.46818017E+01 -0.50897875E+01 -0.54222628E+01 -0.56764298E+01
-0.58510005E+01 -0.59461725E+01 -0.59635752E+01 -0.59061879E+01 -0.57782322E+01
-0.55850430E+01 -0.53329202E+01 -0.50289651E+01 -0.46809069E+01 -0.42969214E+01
-0.38854477E+01 -0.34550068E+01 -0.30140249E+01 -0.25706666E+01 -0.21326809E+01
-0.17072622E+01 -0.13009300E+01 -0.91942838E+00 -0.56764716E+00 -0.24956582E+00
0.31780148E-01 0.27430995E+00 0.47688647E+00 0.63928453E+00 0.76214012E+00
0.84688279E+00 0.89565341E+00 0.91121006E+00 0.89682480E+00 0.85617430E+00
0.79322715E+00 0.71213089E+00 0.61710144E+00 0.51231747E+00 0.40182219E+00
0.28943449E+00 0.17867113E+00 0.72681469E-01 -0.25804441E-01 -0.11451380E+00
-0.19165476E+00 -0.25592621E+00 -0.30651405E+00 -0.34307498E+00 -0.36570880E+00
-0.37492076E+00 -0.37157550E+00 -0.35684428E+00 -0.33214742E+00 -0.29909376E+00
-0.25941894E+00 -0.21492443E+00 -0.16741874E+00 -0.11866261E+00 -0.70319230E-01
-0.23910784E-01 0.19217922E-01 0.57928068E-01 0.91307335E-01 0.11868221E+00
0.13962223E+00 0.15393648E+00 0.16166301E+00 0.16305184E+00 0.15854243E+00
Real Space Part
0.00000000E+00 -0.26861587E+01 -0.53613903E+01 -0.80148402E+01 -0.10635798E+02
-0.13213766E+02 -0.15738531E+02 -0.18200219E+02 -0.20589364E+02 -0.22896957E+02
-0.25114496E+02 -0.27234029E+02 -0.29248190E+02 -0.31150230E+02 -0.32934040E+02
-0.34594167E+02 -0.36125822E+02 -0.37524886E+02 -0.38787907E+02 -0.39912086E+02
-0.40895272E+02 -0.41735933E+02 -0.42433142E+02 -0.42986543E+02 -0.43396327E+02
-0.43663199E+02 -0.43788343E+02 -0.43773394E+02 -0.43620401E+02 -0.43331793E+02
-0.42910354E+02 -0.42359189E+02 -0.41681699E+02 -0.40881559E+02 -0.39962695E+02
-0.38929269E+02 -0.37785663E+02 -0.36536476E+02 -0.35186510E+02 -0.33740773E+02
-0.32204481E+02 -0.30583059E+02 -0.28882149E+02 -0.27107621E+02 -0.25265584E+02
-0.23362394E+02 -0.21404672E+02 -0.19399314E+02 -0.17353500E+02 -0.15274705E+02
-0.13170703E+02 -0.11049575E+02 -0.89196991E+01 -0.67897505E+01 -0.46686839E+01
-0.25657160E+01 -0.49029773E+00 0.15479207E+01 0.35391324E+01 0.54734250E+01
0.73408410E+01 0.91314457E+01 0.10835404E+02 0.12443065E+02 0.13945052E+02
0.15332364E+02 0.16596475E+02 0.17729443E+02 0.18724020E+02 0.19573765E+02
0.20273153E+02 0.20817682E+02 0.21203983E+02 0.21429912E+02 0.21494641E+02
0.21398744E+02 0.21144259E+02 0.20734743E+02 0.20175319E+02 0.19472688E+02
0.18635147E+02 0.17672569E+02 0.16596377E+02 0.15419495E+02 0.14156276E+02
0.12822427E+02 0.11434894E+02 0.10011759E+02 0.85720928E+01 0.71358233E+01
0.57235723E+01 0.43564978E+01 0.30560718E+01 0.18439250E+01 0.74359368E+00
-0.23216957E+00 -0.10693025E+01 -0.13318153E+01 -0.15899388E+00 0.00000000E+00
Reciprocal Space Part
0.00000000E+00 0.43664812E+00 0.86378376E+00 0.12720859E+01 0.16526124E+01
0.19969794E+01 0.22975284E+01 0.25474788E+01 0.27410606E+01 0.28736271E+01
0.29417424E+01 0.29432447E+01 0.28772824E+01 0.27443226E+01 0.25461335E+01
0.22857388E+01 0.19673476E+01 0.15962604E+01 0.11787531E+01 0.72194300E+00
0.23363879E+00 -0.27782202E+00 -0.80374401E+00 -0.13352497E+01 -0.18634569E+01
-0.23796523E+01 -0.28754602E+01 -0.33429999E+01 -0.37750310E+01 -0.41650818E+01
-0.45075604E+01 -0.47978443E+01 -0.50323488E+01 -0.52085717E+01 -0.53251155E+01
-0.53816851E+01 -0.53790642E+01 -0.53190682E+01 -0.52044788E+01 -0.50389588E+01
-0.48269525E+01 -0.45735716E+01 -0.42844719E+01 -0.39657215E+01 -0.36236657E+01
-0.32647906E+01 -0.28955881E+01 -0.25224260E+01 -0.21514264E+01 -0.17883528E+01
-0.14385104E+01 -0.11066600E+01 -0.79694723E+00 -0.51284824E+00 -0.25713256E+00
-0.31842906E-01 0.16170806E+00 0.32292457E+00 0.45189934E+00 0.54937117E+00
0.61667011E+00 0.65565217E+00 0.66862536E+00 0.65826944E+00 0.62755146E+00
0.57963926E+00 0.51781530E+00 0.44539266E+00 0.36563528E+00 0.28168415E+00
0.19649092E+00 0.11276023E+00 0.32901692E-01 -0.41007738E-01 -0.10725069E+00
-0.16448544E+00 -0.21175134E+00 -0.24846406E+00 -0.27440135E+00 -0.28968024E+00
-0.29472676E+00 -0.29023943E+00 -0.27714787E+00 -0.25656791E+00 -0.22975469E+00
-0.19805500E+00 -0.16286045E+00 -0.12556247E+00 -0.87510542E-01 -0.49974388E-01
-0.14111160E-01 0.19061861E-01 0.48688544E-01 0.74088950E-01 0.94768046E-01
0.11041825E+00 0.12091607E+00 0.12631334E+00 0.12682358E+00 0.12280423E+00
Real Space Part
0.00000000E+00 -0.26775561E+01 -0.53440412E+01 -0.79884613E+01 -0.10599975E+02
-0.13167969E+02 -0.15682128E+02 -0.18132501E+02 -0.20509569E+02 -0.22804299E+02
-0.25008198E+02 -0.27113359E+02 -0.29112498E+02 -0.30998992E+02 -0.32766898E+02
-0.34410973E+02 -0.35926688E+02 -0.37310225E+02 -0.38558482E+02 -0.39669056E+02
-0.40640234E+02 -0.41470967E+02 -0.42160851E+02 -0.42710088E+02 -0.43119463E+02
-0.43390303E+02 -0.43524437E+02 -0.43524164E+02 -0.43392208E+02 -0.43131679E+02
-0.42746038E+02 -0.42239057E+02 -0.41614783E+02 -0.40877511E+02 -0.40031746E+02
-0.39082185E+02 -0.38033686E+02 -0.36891257E+02 -0.35660033E+02 -0.34345270E+02
-0.32952332E+02 -0.31486691E+02 -0.29953921E+02 -0.28359703E+02 -0.26709829E+02
-0.25010203E+02 -0.23266857E+02 -0.21485949E+02 -0.19673781E+02 -0.17836800E+02
-0.15981609E+02 -0.14114970E+02 -0.12243806E+02 -0.10375202E+02 -0.85163983E+01
-0.66747816E+01 -0.48578706E+01 -0.30732953E+01 -0.13287703E+01 0.36793768E+00
0.20090494E+01 0.35868195E+01 0.50935893E+01 0.65218462E+01 0.78642888E+01
0.91138978E+01 0.10264012E+02 0.11308408E+02 0.12241381E+02 0.13057833E+02
0.13753354E+02 0.14324307E+02 0.14767913E+02 0.15082323E+02 0.15266695E+02
0.15321260E+02 0.15247374E+02 0.15047570E+02 0.14725596E+02 0.14286432E+02
0.13736307E+02 0.13082696E+02 0.12334297E+02 0.11501009E+02 0.10593875E+02
0.96250310E+01 0.86076242E+01 0.75557342E+01 0.64842647E+01 0.54088423E+01
0.43456935E+01 0.33115225E+01 0.23233386E+01 0.13983350E+01 0.55525537E+00
-0.19553803E+00 -0.84260286E+00 -0.10442207E+01 -0.12463972E+00 0.00000000E+00
PAW radial sets
377 0.721520152002726
(5E20.12)
augmentation charges (non sperical)
-0.157752210133E+00 0.204307985990E+00 0.447401445179E-01 -0.525030860708E-01 0.204307985990E+00
-0.264895400929E+00 -0.572873051840E-01 0.674773332044E-01 0.447401445179E-01 -0.572873051840E-01
0.206642371551E+00 -0.289235099519E+00 -0.525030860708E-01 0.674773332044E-01 -0.289235099519E+00
0.406654885716E+00
uccopancies in atom
0.200000000006E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.133333333302E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00
grid
0.292861757568E-04 0.302384891324E-04 0.312217693632E-04 0.322370234141E-04 0.332852909940E-04
0.343676456204E-04 0.354851957192E-04 0.366390857593E-04 0.378304974248E-04 0.390606508255E-04
0.403308057460E-04 0.416422629358E-04 0.429963654417E-04 0.443944999831E-04 0.458380983718E-04
0.473286389788E-04 0.488676482478E-04 0.504567022590E-04 0.520974283424E-04 0.537915067449E-04
0.555406723508E-04 0.573467164586E-04 0.592114886153E-04 0.611368985105E-04 0.631249179321E-04
0.651775827859E-04 0.672969951799E-04 0.694853255777E-04 0.717448150208E-04 0.740777774238E-04
0.764866019442E-04 0.789737554287E-04 0.815417849398E-04 0.841933203642E-04 0.869310771058E-04
0.897578588667E-04 0.926765605186E-04 0.956901710669E-04 0.988017767123E-04 0.102014564011E-03
0.105331823137E-03 0.108756951255E-03 0.112293455994E-03 0.115944959045E-03 0.119715199866E-03
0.123608039513E-03 0.127627464593E-03 0.131777591350E-03 0.136062669876E-03 0.140487088466E-03
0.145055378110E-03 0.149772217137E-03 0.154642436003E-03 0.159671022236E-03 0.164863125548E-03
0.170224063108E-03 0.175759324983E-03 0.181474579766E-03 0.187375680376E-03 0.193468670057E-03
0.199759788562E-03 0.206255478546E-03 0.212962392164E-03 0.219887397881E-03 0.227037587508E-03
0.234420283464E-03 0.242043046275E-03 0.249913682317E-03 0.258040251807E-03 0.266431077064E-03
0.275094751026E-03 0.284040146052E-03 0.293276423008E-03 0.302813040649E-03 0.312659765305E-03
0.322826680882E-03 0.333324199190E-03 0.344163070606E-03 0.355354395080E-03 0.366909633507E-03
0.378840619461E-03 0.391159571315E-03 0.403879104750E-03 0.417012245681E-03 0.430572443592E-03
0.444573585311E-03 0.459030009230E-03 0.473956519990E-03 0.489368403644E-03 0.505281443305E-03
0.521711935319E-03 0.538676705943E-03 0.556193128586E-03 0.574279141596E-03 0.592953266629E-03
0.612234627622E-03 0.632142970374E-03 0.652698682767E-03 0.673922815646E-03 0.695837104379E-03
0.718463991113E-03 0.741826647755E-03 0.765948999709E-03 0.790855750370E-03 0.816572406429E-03
0.843125303987E-03 0.870541635532E-03 0.898849477784E-03 0.928077820446E-03 0.958256595896E-03
0.989416709837E-03 0.102159007295E-02 0.105480963356E-02 0.108910941142E-02 0.112452453248E-02
0.116109126493E-02 0.119884705630E-02 0.123783057181E-02 0.127808173400E-02 0.131964176357E-02
0.136255322161E-02 0.140686005323E-02 0.145260763247E-02 0.149984280887E-02 0.154861395536E-02
0.159897101787E-02 0.165096556643E-02 0.170465084799E-02 0.176008184098E-02 0.181731531158E-02
0.187640987187E-02 0.193742603983E-02 0.200042630136E-02 0.206547517423E-02 0.213263927416E-02
0.220198738308E-02 0.227359051949E-02 0.234752201127E-02 0.242385757072E-02 0.250267537214E-02
0.258405613183E-02 0.266808319080E-02 0.275484260011E-02 0.284442320898E-02 0.293691675577E-02
0.303241796195E-02 0.313102462912E-02 0.323283773910E-02 0.333796155744E-02 0.344650374009E-02
0.355857544374E-02 0.367429143961E-02 0.379377023099E-02 0.391713417460E-02 0.404450960591E-02
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aepotential
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core charge-density
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0.148451909595E+00 0.157483869030E+00 0.167039173333E+00 0.177145594063E+00 0.187832125314E+00
0.199129011925E+00 0.211067775390E+00 0.223681237018E+00 0.237003537861E+00 0.251070154895E+00
0.265917912862E+00 0.281584991174E+00 0.298110925183E+00 0.315536601090E+00 0.333904243727E+00
0.353257396336E+00 0.373640891470E+00 0.395100812028E+00 0.417684441421E+00 0.441440201756E+00
0.466417578917E+00 0.492667033311E+00 0.520239895026E+00 0.549188242087E+00 0.579564760420E+00
0.611422584151E+00 0.644815114720E+00 0.679795817435E+00 0.716417993867E+00 0.754734528645E+00
0.794797609172E+00 0.836658416756E+00 0.880366787762E+00 0.925970843486E+00 0.973516587417E+00
0.102304746886E+01 0.107460391186E+01 0.112822280879E+01 0.118393697791E+01 0.124177458474E+01
0.130175852731E+01 0.136390578560E+01 0.142822673623E+01 0.149472443356E+01 0.156339385909E+01
0.163422114178E+01 0.170718275227E+01 0.178224467496E+01 0.185936156253E+01 0.193847587857E+01
0.201951703446E+01 0.210240052821E+01 0.218702709338E+01 0.227328186773E+01 0.236103359206E+01
0.245013385084E+01 0.254041636756E+01 0.263169636840E+01 0.272377002939E+01 0.281641402277E+01
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0.430534319207E+01 0.432051501388E+01 0.432755071371E+01 0.432616109652E+01 0.431609807282E+01
0.429715942646E+01 0.426919340030E+01 0.423210301446E+01 0.418585002797E+01 0.413045845132E+01
0.406601751648E+01 0.399268401161E+01 0.391068389027E+01 0.382031307065E+01 0.372193734783E+01
0.361599135309E+01 0.350297650770E+01 0.338345793507E+01 0.325806031466E+01 0.312746268272E+01
0.299239220956E+01 0.285361700894E+01 0.271193806267E+01 0.256818037128E+01 0.242318346850E+01
0.227779146284E+01 0.213284279210E+01 0.198915989043E+01 0.184753899016E+01 0.170874026947E+01
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0.971076416602E+00 0.868557720278E+00 0.772719446284E+00 0.683692073177E+00 0.601521935215E+00
0.526173696225E+00 0.457535189698E+00 0.395424650817E+00 0.339599878315E+00 0.289768462786E+00
0.245598123336E+00 0.206726459547E+00 0.172769863026E+00 0.143331658906E+00 0.118009628923E+00
0.964029804771E-01 0.781187116277E-01 0.627772597360E-01 0.500173177769E-01 0.394997340760E-01
0.309104559082E-01 0.239625220484E-01 0.183971483157E-01 0.139839815670E-01 0.105206212258E-01
0.783152351440E-02 0.576641246844E-02 0.419832404102E-02 0.302140581083E-02 0.214858586519E-02
0.150921142073E-02 0.104674189060E-02 0.716563679615E-03 0.483976210018E-03 0.322381630461E-03
0.211695213144E-03 0.136980223621E-03 0.873004188041E-04 0.547754095664E-04 0.338188198116E-04
0.205362242348E-04 0.122588806356E-04 0.718986064052E-05 0.414088624546E-05 0.234058880470E-05
0.129766796585E-05 0.705257746188E-06 0.375498683592E-06 0.195734189800E-06 0.998239738991E-07
0.497754873703E-07 0.242494266994E-07 0.115338788408E-07 0.535191862631E-08 0.242083588431E-08
0.106657986918E-08 0.457333094816E-09 0.190682259329E-09 0.772398275178E-10 0.303688154904E-10
0.115786767161E-10 0.427670909637E-11 0.152876609799E-11 0.528322171385E-12 0.176324824774E-12
0.567674173964E-13 0.176097553853E-13 0.525721959721E-14 0.150858460345E-14 0.415563715107E-15
0.109744952184E-15 0.277469656242E-16 0.670680098186E-17 0.154756453186E-17 0.340376048323E-18
0.712472447356E-19 0.141702017331E-19 0.267337816327E-20 0.477612433480E-21 0.806589344905E-22
0.128527880519E-22 0.192881896028E-23 0.272075946858E-24 0.360016081062E-25 0.445951382854E-26
0.516011199631E-27 0.556518007526E-28 0.558161154107E-29 0.519374207451E-30 0.447289631952E-31
0.355629990309E-32 0.260367891573E-33 0.175064565194E-34 0.107804238351E-35 0.606270898466E-37
0.310468696030E-38 0.144336180909E-39 0.607271593111E-41 0.230484607408E-42 0.786517690571E-44
0.240488010869E-45 0.656539175165E-47
kinetic energy-density
0.132175359298E+00 0.133934922334E+00 0.135761433132E+00 0.137657992670E+00 0.139627696619E+00
0.141673927295E+00 0.143799500496E+00 0.146008676819E+00 0.148304768593E+00 0.150692037550E+00
0.153174592370E+00 0.155756926490E+00 0.158443724597E+00 0.161239998599E+00 0.164150979471E+00
0.167182160118E+00 0.170339406432E+00 0.173628825911E+00 0.177056890152E+00 0.180630402417E+00
0.184356546754E+00 0.188242882397E+00 0.192297380534E+00 0.196528442009E+00 0.200944923915E+00
0.205556162290E+00 0.210372007069E+00 0.215402842558E+00 0.220659635012E+00 0.226153936007E+00
0.231897972674E+00 0.237904604375E+00 0.244187471325E+00 0.250760917296E+00 0.257640162069E+00
0.264841167874E+00 0.272381153950E+00 0.280277663180E+00 0.288549849880E+00 0.297217874330E+00
0.306302839392E+00 0.315827114105E+00 0.325814512040E+00 0.336290191996E+00 0.347280782458E+00
0.358814325037E+00 0.370920696609E+00 0.383631528596E+00 0.396980261001E+00 0.411002406416E+00
0.425735441776E+00 0.441219103243E+00 0.457495823050E+00 0.474609969929E+00 0.492609215294E+00
0.511543740684E+00 0.531466742719E+00 0.552434833566E+00 0.574507969902E+00 0.597749679366E+00
0.622227413642E+00 0.648012684333E+00 0.675181462413E+00 0.703814274030E+00 0.733996641234E+00
0.765819261046E+00 0.799378432777E+00 0.834776340370E+00 0.872121544375E+00 0.911529213993E+00
0.953121528021E+00 0.997028613042E+00 0.104338807052E+01 0.109234610786E+01 0.114405866183E+01
0.119869068044E+01 0.125641724924E+01 0.131742479440E+01 0.138191086663E+01 0.145008602723E+01
0.152217267487E+01 0.159840841209E+01 0.167904466533E+01 0.176434892232E+01 0.185460533706E+01
0.195011564886E+01 0.205120035997E+01 0.215820007462E+01 0.227147662631E+01 0.239141423813E+01
0.251842134620E+01 0.265293152534E+01 0.279540559147E+01 0.294633308413E+01 0.310623394117E+01
0.327566044774E+01 0.345519942483E+01 0.364547413422E+01 0.384714651844E+01 0.406091980636E+01
0.428754092445E+01 0.452780303528E+01 0.478254865784E+01 0.505267250232E+01 0.533912470905E+01
0.564291416100E+01 0.596511230625E+01 0.630685638674E+01 0.666935438494E+01 0.705388826939E+01
0.746181864518E+01 0.789459086696E+01 0.835373750037E+01 0.884088626747E+01 0.935776370686E+01
0.990620206875E+01 0.104881452327E+02 0.111056553832E+02 0.117609200093E+02 0.124562589936E+02
0.131941322519E+02 0.139771490721E+02 0.148080742975E+02 0.156898399262E+02 0.166255529959E+02
0.176185058382E+02 0.186721871477E+02 0.197902923809E+02 0.209767356465E+02 0.222356617535E+02
0.235714589633E+02 0.249887727054E+02 0.264925187028E+02 0.280878986315E+02 0.297804145496E+02
0.315758858195E+02 0.334804646744E+02 0.355006548639E+02 0.376433285913E+02 0.399157465039E+02
0.423255765878E+02 0.448809147558E+02 0.475903062309E+02 0.504627671938E+02 0.535078069378E+02
0.567354538836E+02 0.601562740015E+02 0.637814033508E+02 0.676225669762E+02 0.716921078905E+02
0.760030148055E+02 0.805689455143E+02 0.854042611492E+02 0.905240453913E+02 0.959441427845E+02
0.101681177977E+03 0.107752592371E+03 0.114176666596E+03 0.120972552773E+03 0.128160301057E+03
0.135760886729E+03 0.143796237719E+03 0.152289259589E+03 0.161263859378E+03 0.170744968292E+03
0.180758563951E+03 0.191331684769E+03 0.202492449472E+03 0.214270066618E+03 0.226694844481E+03
0.239798194400E+03 0.253612631141E+03 0.268171766650E+03 0.283510298141E+03 0.299663989133E+03
0.316669644200E+03 0.334565073015E+03 0.353389047560E+03 0.373181248382E+03 0.393982198281E+03
0.415833186955E+03 0.438776179997E+03 0.462853713912E+03 0.488108777503E+03 0.514584674687E+03
0.542324868355E+03 0.571372814773E+03 0.601771757830E+03 0.633564525793E+03 0.666793288738E+03
0.701499294335E+03 0.737722589266E+03 0.775501699491E+03 0.814873296137E+03 0.855871822522E+03
0.898529107918E+03 0.942873929636E+03 0.988931570548E+03 0.103672333103E+04 0.108626601193E+04
0.113757137908E+04 0.119064559064E+04 0.124548860113E+04 0.130209354210E+04 0.136044607669E+04
0.142052374137E+04 0.148229526392E+04 0.154571987820E+04 0.161074662308E+04 0.167731364973E+04
0.174534752686E+04 0.181476256712E+04 0.188546016237E+04 0.195732816583E+04 0.203024029704E+04
0.210405561400E+04 0.217861803447E+04 0.225375594384E+04 0.232928188291E+04 0.240499234224E+04
0.248066767364E+04 0.255607213027E+04 0.263095405373E+04 0.270504622266E+04 0.277806637569E+04
0.284971792232E+04 0.291969085993E+04 0.298766289826E+04 0.305330081418E+04 0.311626203317E+04
0.317619645553E+04 0.323274851735E+04 0.328555949697E+04 0.333427005860E+04 0.337852302635E+04
0.341796637497E+04 0.345225642472E+04 0.348106121747E+04 0.350406404142E+04 0.352096708619E+04
0.353149517385E+04 0.353539954144E+04 0.353246161090E+04 0.352249670885E+04 0.350535766831E+04
0.348093826265E+04 0.344917639893E+04 0.341005701605E+04 0.336361461286E+04 0.330993534594E+04
0.324915863230E+04 0.318147819044E+04 0.310714246912E+04 0.302645440370E+04 0.293977046042E+04
0.284749892621E+04 0.275009742069E+04 0.264806960925E+04 0.254196111851E+04 0.243235466160E+04
0.231986440322E+04 0.220512961015E+04 0.208880765323E+04 0.197156645037E+04 0.185407646003E+04
0.173700235755E+04 0.162099460999E+04 0.150668096519E+04 0.139465830267E+04 0.128548488438E+04
0.117967334177E+04 0.107768467666E+04 0.979923602975E+03 0.886735570052E+03 0.798405742029E+03
0.715159970065E+03 0.637167311145E+03 0.564542992801E+03 0.497350257609E+03 0.435599805156E+03
0.379246857249E+03 0.328187666872E+03 0.282258420112E+03 0.241239057774E+03 0.204862611282E+03
0.172828208135E+03 0.144814513272E+03 0.120490951017E+03 0.995258554277E+02 0.815921604920E+02
0.663716392462E+02 0.535583898124E+02 0.428618420926E+02 0.340093008916E+02 0.267479560236E+02
0.208462992017E+02 0.160949283404E+02 0.123067614073E+02 0.931671333272E+01 0.698090990260E+01
0.517552367589E+01 0.379532124129E+01 0.275201014992E+01 0.197246888631E+01 0.139693522757E+01
0.977217983846E+00 0.674985359165E+00 0.460170692067E+00 0.309524006907E+00 0.205326234266E+00
0.134272727265E+00 0.865241481836E-01 0.549161363228E-01 0.343144071897E-01 0.210989668890E-01
0.127597319673E-01 0.758574121990E-02 0.443101968700E-02 0.254169790688E-02 0.143092285464E-02
0.790186711125E-03 0.427764798256E-03 0.226868357364E-03 0.117803708430E-03 0.598512600186E-04
0.297317424871E-04 0.144309058083E-04 0.683874100383E-05 0.316184581695E-05 0.142511201228E-05
0.625679306603E-06 0.267355006762E-06 0.111092838351E-06 0.448497786641E-07 0.175757437694E-07
0.667937531847E-08 0.245924970219E-08 0.876346295166E-09 0.301927106320E-09 0.100464605997E-09
0.322495741201E-10 0.997546854204E-11 0.296976514779E-11 0.849871705228E-12 0.233491659841E-12
0.615036796645E-13 0.155112822825E-13 0.374020991069E-14 0.861013369860E-15 0.188943581705E-15
0.394624170262E-16 0.783183070142E-17 0.147450788513E-17 0.262898472980E-18 0.443113920182E-19
0.704748096600E-20 0.105565824354E-20 0.148640629620E-21 0.196337661526E-22 0.242784564648E-23
0.280453473054E-24 0.301970272345E-25 0.302372214589E-26 0.280913690698E-27 0.241548025437E-28
0.191754674412E-29 0.140177265917E-30 0.941107945358E-32 0.578675660952E-33 0.324960095534E-34
0.166168703665E-35 0.771395585826E-37 0.324082732323E-38 0.122824240942E-39 0.418519451757E-41
0.127778710765E-42 0.348315951701E-44
mkinetic energy-density pseudized
0.334210080475E-07 0.356298826206E-07 0.379847470105E-07 0.404952500339E-07 0.431716782210E-07
0.460249979636E-07 0.490669004484E-07 0.523098495607E-07 0.557671329536E-07 0.594529164932E-07
0.633823023015E-07 0.675713906359E-07 0.720373458583E-07 0.767984667641E-07 0.818742615602E-07
0.872855277972E-07 0.930544375856E-07 0.992046284436E-07 0.105761300150E-06 0.112751317995E-06
0.120203322863E-06 0.128147848581E-06 0.136617447029E-06 0.145646821520E-06 0.155272968990E-06
0.165535331591E-06 0.176475958301E-06 0.188139677214E-06 0.200574279222E-06 0.213830713827E-06
0.227963297908E-06 0.243029938272E-06 0.259092368926E-06 0.276216404024E-06 0.294472207532E-06
0.313934580721E-06 0.334683268652E-06 0.356803286925E-06 0.380385270024E-06 0.405525842678E-06
0.432328015771E-06 0.460901608420E-06 0.491363697943E-06 0.523839099574E-06 0.558460877876E-06
0.595370891961E-06 0.634720376740E-06 0.676670562590E-06 0.721393335978E-06 0.769071943747E-06
0.819901743945E-06 0.874091006286E-06 0.931861765505E-06 0.993450731124E-06 0.105911025734E-05
0.112910937700E-05 0.120373490396E-05 0.128329260825E-05 0.136810846892E-05 0.145853000970E-05
0.155492772295E-05 0.165769658770E-05 0.176725768801E-05 0.188405993828E-05 0.200858192270E-05
0.214133385607E-05 0.228285967442E-05 0.243373926365E-05 0.259459083558E-05 0.276607346090E-05
0.294888976969E-05 0.314378883029E-05 0.335156921847E-05 0.357308228952E-05 0.380923566645E-05
0.406099695888E-05 0.432939772761E-05 0.461553771124E-05 0.492058933216E-05 0.524580250031E-05
0.559250973439E-05 0.596213162162E-05 0.635618263825E-05 0.677627735479E-05 0.722413705133E-05
0.770159677004E-05 0.821061283380E-05 0.875327086173E-05 0.933179431437E-05 0.994855360375E-05
0.106060758054E-04 0.113070550121E-04 0.120543633723E-04 0.128510628578E-04 0.137004178085E-04
0.146059083075E-04 0.155712444390E-04 0.166003814888E-04 0.176975361496E-04 0.188672037968E-04
0.201141769059E-04 0.214435646878E-04 0.228608140206E-04 0.243717317653E-04 0.259825085557E-04
0.276997441612E-04 0.295304745246E-04 0.314822005869E-04 0.335629190171E-04 0.357811549721E-04
0.381459970220E-04 0.406671343819E-04 0.433548966050E-04 0.462202958978E-04 0.492750722309E-04
0.525317414313E-04 0.560036464508E-04 0.597050120226E-04 0.636510029287E-04 0.678577861163E-04
0.723425969184E-04 0.771238096484E-04 0.822210128583E-04 0.876550895687E-04 0.934483027978E-04
0.996243867394E-04 0.106208643964E-03 0.113228049041E-03 0.120711358997E-03 0.128689231084E-03
0.137194348304E-03 0.146261553244E-03 0.155927990729E-03 0.166233259908E-03 0.177219576370E-03
0.188931944972E-03 0.201418344065E-03 0.214729921891E-03 0.228921205932E-03 0.244050326078E-03
0.260179252527E-03 0.277374049373E-03 0.295705144926E-03 0.315247619868E-03 0.336081514407E-03
0.358292155693E-03 0.381970506822E-03 0.407213538840E-03 0.434124627285E-03 0.462813974843E-03
0.493399061868E-03 0.526005126574E-03 0.560765676855E-03 0.597823035812E-03 0.637328923186E-03
0.679445075065E-03 0.724343904361E-03 0.772209204734E-03 0.823236900801E-03 0.877635847660E-03
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-0.767237567928E+02 -0.748495516535E+02 -0.729945622392E+02 -0.711600178293E+02 -0.693469132042E+02
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-0.589604468790E+02 -0.573188399977E+02 -0.557056454730E+02 -0.541222852492E+02 -0.525703011285E+02
-0.510513025120E+02 -0.495669012821E+02 -0.481186381574E+02 -0.467079052121E+02 -0.453358696671E+02
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-0.180196463043E+02 -0.174665659194E+02
core charge-density (pseudized)
0.519905608232E-10 0.554267416734E-10 0.590900279549E-10 0.629954296097E-10 0.671589486232E-10
0.715976445901E-10 0.763297046145E-10 0.813745178299E-10 0.867527548438E-10 0.924864524340E-10
0.985991038411E-10 0.105115755031E-09 0.112063107316E-09 0.119469626763E-09 0.127365660829E-09
0.135783562708E-09 0.144757823892E-09 0.154325215499E-09 0.164524938938E-09 0.175398786533E-09
0.186991312762E-09 0.199350016813E-09 0.212525537213E-09 0.226571859305E-09 0.241546536456E-09
0.257510925868E-09 0.274530439991E-09 0.292674814535E-09 0.312018394212E-09 0.332640437351E-09
0.354625440654E-09 0.378063485407E-09 0.403050606586E-09 0.429689186342E-09 0.458088373509E-09
0.488364530821E-09 0.520641711703E-09 0.555052168564E-09 0.591736894683E-09 0.630846201922E-09
0.672540336602E-09 0.716990136104E-09 0.764377728851E-09 0.814897280558E-09 0.868755789810E-09
0.926173936208E-09 0.987386984583E-09 0.105264574897E-08 0.112221762028E-08 0.119638766190E-08
0.127545977775E-08 0.135975795741E-08 0.144962760371E-08 0.154543694795E-08 0.164757855864E-08
0.175647095007E-08 0.187256029709E-08 0.199632226323E-08 0.212826394971E-08 0.226892597320E-08
0.241888468094E-08 0.257875451222E-08 0.274919051601E-08 0.293089103487E-08 0.312460056636E-08
0.333111281351E-08 0.355127393686E-08 0.378598602153E-08 0.403621077335E-08 0.430297345930E-08
0.458736710842E-08 0.489055699023E-08 0.521378538934E-08 0.555837669543E-08 0.592574282971E-08
0.631738903005E-08 0.673492001840E-08 0.718004657580E-08 0.765459255203E-08 0.816050233844E-08
0.869984883469E-08 0.927484194199E-08 0.988783761774E-08 0.105413475285E-07 0.112380493408E-07
0.119807976926E-07 0.127726358889E-07 0.136168083713E-07 0.145167740112E-07 0.154762202811E-07
0.164990783632E-07 0.175895392565E-07 0.187520709472E-07 0.199914367156E-07 0.213127146514E-07
0.227213184595E-07 0.242230196403E-07 0.258239711362E-07 0.275307325405E-07 0.293502969725E-07
0.312901197281E-07 0.333581488244E-07 0.355628575625E-07 0.379132792416E-07 0.404190441683E-07
0.430904191102E-07 0.459383493573E-07 0.489745035630E-07 0.522113215475E-07 0.556620652604E-07
0.593408731107E-07 0.632628178864E-07 0.674439685016E-07 0.719014558231E-07 0.766535428464E-07
0.817196995086E-07 0.871206824432E-07 0.928786200058E-07 0.990171029154E-07 0.105561280885E-06
0.112537965635E-06 0.119975740715E-06 0.127905078574E-06 0.136358465368E-06 0.145370534015E-06
0.154978206031E-06 0.165220842739E-06 0.176140406465E-06 0.187781632376E-06 0.200192211673E-06
0.213422986872E-06 0.227528159990E-06 0.242565514469E-06 0.258596651761E-06 0.275687243520E-06
0.293907300457E-06 0.313331458932E-06 0.334039286467E-06 0.356115607420E-06 0.379650850156E-06
0.404741417117E-06 0.431490079324E-06 0.460006396888E-06 0.490407167275E-06 0.522816903126E-06
0.557368341591E-06 0.594202987248E-06 0.633471690816E-06 0.675335266009E-06 0.719965147048E-06
0.767544089494E-06 0.818266917256E-06 0.872341318792E-06 0.929988695744E-06 0.991445067441E-06
0.105696203493E-05 0.112680780844E-05 0.120126830242E-05 0.128064830260E-05 0.136527270978E-05
0.145548786526E-05 0.155166296347E-05 0.165419155726E-05 0.176349316199E-05 0.188001496483E-05
0.200423364622E-05 0.213665732059E-05 0.227782760421E-05 0.242832181844E-05 0.258875533700E-05
0.275978408680E-05 0.294210721195E-05 0.313646991183E-05 0.334366646402E-05 0.356454344439E-05
0.380000315659E-05 0.405100728465E-05 0.431858078276E-05 0.460381601743E-05 0.490787717794E-05
0.523200497226E-05 0.557752162630E-05 0.594583620572E-05 0.633845028039E-05 0.675696395312E-05
0.720308227519E-05 0.767862207269E-05 0.818551920909E-05 0.872583631077E-05 0.930177098387E-05
0.991566455212E-05 0.105700113474E-04 0.112674685859E-04 0.120108668647E-04 0.128032213158E-04
0.136477434558E-04 0.145478537710E-04 0.155071950816E-04 0.165296467279E-04 0.176193396244E-04
0.187806722319E-04 0.200183274945E-04 0.213372907958E-04 0.227428689870E-04 0.242407105420E-04
0.258368268962E-04 0.275376150288E-04 0.293498813456E-04 0.312808669250E-04 0.333382741860E-04
0.355302950415E-04 0.378656405944E-04 0.403535724397E-04 0.430039356276E-04 0.458271933443E-04
0.488344633617E-04 0.520375563041E-04 0.554490157711E-04 0.590821603507E-04 0.629511275468E-04
0.670709196311E-04 0.714574514193E-04 0.761275999496E-04 0.810992560261E-04 0.863913775612E-04
0.920240446264E-04 0.980185160843E-04 0.104397287640E-03 0.111184151099E-03 0.118404254575E-03
0.126084163322E-03 0.134251920800E-03 0.142937109507E-03 0.152170911011E-03 0.161986164521E-03
0.172417423212E-03 0.183501007380E-03 0.195275053366E-03 0.207779557005E-03 0.221056410151E-03
0.235149428644E-03 0.250104369808E-03 0.265968937303E-03 0.282792770878E-03 0.300627418182E-03
0.319526285470E-03 0.339544563583E-03 0.360739125162E-03 0.383168388536E-03 0.406892143195E-03
0.431971331171E-03 0.458467778024E-03 0.486443866460E-03 0.515962144887E-03 0.547084862493E-03
0.579873421640E-03 0.614387737599E-03 0.650685494867E-03 0.688821288548E-03 0.728845638577E-03
0.770803863938E-03 0.814734803536E-03 0.860669370061E-03 0.908628923135E-03 0.958623448272E-03
0.101064952889E-02 0.106468809986E-02 0.112070197289E-02 0.117863312704E-02 0.123839976112E-02
0.129989311009E-02 0.136297403380E-02 0.142746939502E-02 0.149316825378E-02 0.155981791802E-02
0.162711990578E-02 0.169472589312E-02 0.176223374340E-02 0.182918373980E-02 0.189505517201E-02
0.195926346229E-02 0.202115805317E-02 0.208002132098E-02 0.213506882328E-02 0.218545123504E-02
0.223025837469E-02 0.226852576550E-02 0.229924421654E-02 0.232137293523E-02 0.233385669595E-02
0.233564757622E-02 0.232573172661E-02 0.230316154845E-02 0.226709350375E-02 0.221683155562E-02
0.215187592013E-02 0.207197638178E-02 0.197718886698E-02 0.186793326719E-02 0.174504964410E-02
0.160984893220E-02 0.146415309003E-02 0.131031837504E-02 0.115123408966E-02 0.990287870878E-03
0.831287525097E-03 0.678328759795E-03 0.535598221098E-03 0.407102379908E-03 0.296315464992E-03
0.205744332993E-03 0.136415441297E-03 0.872994757747E-04 0.547754095664E-04 0.338188198116E-04
0.205362242348E-04 0.122588806356E-04 0.718986064052E-05 0.414088624546E-05 0.234058880470E-05
0.129766796585E-05 0.705257746188E-06 0.375498683592E-06 0.195734189800E-06 0.998239738991E-07
0.497754873703E-07 0.242494266994E-07 0.115338788408E-07 0.535191862631E-08 0.242083588431E-08
0.106657986918E-08 0.457333094816E-09 0.190682259329E-09 0.772398275178E-10 0.303688154904E-10
0.115786767161E-10 0.427670909637E-11 0.152876609799E-11 0.528322171385E-12 0.176324824774E-12
0.567674173964E-13 0.176097553853E-13 0.525721959721E-14 0.150858460345E-14 0.415563715107E-15
0.109744952184E-15 0.277469656242E-16 0.670680098186E-17 0.154756453186E-17 0.340376048323E-18
0.712472447356E-19 0.141702017331E-19 0.267337816327E-20 0.477612433480E-21 0.806589344905E-22
0.128527880519E-22 0.192881896028E-23 0.272075946858E-24 0.360016081062E-25 0.445951382854E-26
0.516011199631E-27 0.556518007526E-28 0.558161154107E-29 0.519374207451E-30 0.447289631952E-31
0.355629990309E-32 0.260367891573E-33 0.175064565194E-34 0.107804238351E-35 0.606270898466E-37
0.310468696030E-38 0.144336180909E-39 0.607271593111E-41 0.230484607408E-42 0.786517690571E-44
0.240488010869E-45 0.656539175165E-47
pseudo wavefunction
0.165601274909E-03 0.170986215211E-03 0.176546260335E-03 0.182287104253E-03 0.188214626088E-03
0.194334896143E-03 0.200654182106E-03 0.207178955479E-03 0.213915898199E-03 0.220871909482E-03
0.228054112893E-03 0.235469863633E-03 0.243126756079E-03 0.251032631556E-03 0.259195586370E-03
0.267623980099E-03 0.276326444154E-03 0.285311890615E-03 0.294589521364E-03 0.304168837504E-03
0.314059649088E-03 0.324272085170E-03 0.334816604173E-03 0.345704004605E-03 0.356945436110E-03
0.368552410895E-03 0.380536815510E-03 0.392910923029E-03 0.405687405616E-03 0.418879347498E-03
0.432500258372E-03 0.446564087235E-03 0.461085236668E-03 0.476078577590E-03 0.491559464484E-03
0.507543751121E-03 0.524047806797E-03 0.541088533096E-03 0.558683381199E-03 0.576850369752E-03
0.595608103326E-03 0.614975791461E-03 0.634973268344E-03 0.655621013119E-03 0.676940170857E-03
0.698952574216E-03 0.721680765792E-03 0.745148021210E-03 0.769378372957E-03 0.794396634995E-03
0.820228428171E-03 0.846900206453E-03 0.874439284026E-03 0.902873863259E-03 0.932233063586E-03
0.962546951331E-03 0.993846570492E-03 0.102616397454E-02 0.105953225923E-02 0.109398559650E-02
0.112955926949E-02 0.116628970863E-02 0.120421452897E-02 0.124337256871E-02 0.128380392893E-02
0.132555001474E-02 0.136865357757E-02 0.141315875904E-02 0.145911113612E-02 0.150655776781E-02
0.155554724334E-02 0.160612973192E-02 0.165835703410E-02 0.171228263484E-02 0.176796175828E-02
0.182545142426E-02 0.188481050674E-02 0.194609979407E-02 0.200938205127E-02 0.207472208424E-02
0.214218680617E-02 0.221184530607E-02 0.228376891946E-02 0.235803130147E-02 0.243470850221E-02
0.251387904471E-02 0.259562400524E-02 0.268002709642E-02 0.276717475284E-02 0.285715621965E-02
0.295006364387E-02 0.304599216880E-02 0.314504003138E-02 0.324730866281E-02 0.335290279239E-02
0.346193055474E-02 0.357450360052E-02 0.369073721075E-02 0.381075041481E-02 0.393466611232E-02
0.406261119894E-02 0.419471669631E-02 0.433111788613E-02 0.447195444871E-02 0.461737060589E-02
0.476751526870E-02 0.492254218982E-02 0.508261012087E-02 0.524788297500E-02 0.541852999457E-02
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ae wavefunction
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pseudo wavefunction
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ae wavefunction
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pseudo wavefunction
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ae wavefunction
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pseudo wavefunction
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ae wavefunction
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0.000000000000E+00 0.000000000000E+00
End of Dataset
PAW_PBE H 15Jun2001
1.00000000000000
parameters from PSCTR are:
VRHFIN =H: ultrasoft test
LEXCH = PE
EATOM = 12.4884 eV, 0.9179 Ry
TITEL = PAW_PBE H 15Jun2001
LULTRA = F use ultrasoft PP ?
IUNSCR = 0 unscreen: 0-lin 1-nonlin 2-no
RPACOR = 0.000 partial core radius
POMASS = 1.000; ZVAL = 1.000 mass and valenz
RCORE = 1.100 outmost cutoff radius
RWIGS = 0.700; RWIGS = 0.370 wigner-seitz radius (au A)
ENMAX = 250.000; ENMIN = 200.000 eV
RCLOC = 0.701 cutoff for local pot
LCOR = T correct aug charges
LPAW = T paw PP
EAUG = 400.000
RMAX = 1.123 core radius for proj-oper
RAUG = 1.200 factor for augmentation sphere
RDEP = 1.112 radius for radial grids
RDEPT = 0.926 core radius for aug-charge
Atomic configuration
2 entries
n l j E occ.
1 0 0.50 -6.4927 1.0000
2 1 0.50 -3.4015 0.0000
Description
l E TYP RCUT TYP RCUT
0 -6.4927494 23 1.100
0 6.8029130 23 1.100
1 -4.0817478 23 1.100
Error from kinetic energy argument (eV)
NDATA = 100
STEP = 20.000 1.050
5.77 5.50 5.37 5.11 4.99 4.75 4.52 4.40
4.19 3.98 3.88 3.68 3.49 3.31 3.14 2.98
2.83 2.68 2.54 2.35 2.22 2.11 1.94 1.84
1.74 1.61 1.48 1.40 1.29 1.19 1.09 1.01
0.925 0.851 0.782 0.719 0.642 0.590 0.526 0.482
0.430 0.382 0.339 0.301 0.267 0.236 0.209 0.178
0.157 0.133 0.113 0.988E-01 0.832E-01 0.697E-01 0.562E-01 0.467E-01
0.386E-01 0.305E-01 0.239E-01 0.186E-01 0.143E-01 0.109E-01 0.820E-02 0.580E-02
0.425E-02 0.291E-02 0.195E-02 0.130E-02 0.808E-03 0.544E-03 0.368E-03 0.278E-03
0.239E-03 0.227E-03 0.225E-03 0.224E-03 0.218E-03 0.204E-03 0.181E-03 0.156E-03
0.127E-03 0.983E-04 0.735E-04 0.520E-04 0.369E-04 0.274E-04 0.225E-04 0.204E-04
0.201E-04 0.200E-04 0.193E-04 0.178E-04 0.151E-04 0.121E-04 0.914E-05 0.676E-05
0.512E-05 0.437E-05 0.412E-05 0.410E-05
END of PSCTR-controll parameters
local part
170.075338972103
0.24361675E+01 0.24358438E+01 0.24348697E+01 0.24332467E+01 0.24309759E+01
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0.72426295E-02 0.72264869E-02 0.72103023E-02 0.71940821E-02 0.71778338E-02
0.71615653E-02 0.71452853E-02 0.71290031E-02 0.71127286E-02 0.70964719E-02
0.70802435E-02 0.70640541E-02 0.70479144E-02 0.70318352E-02 0.70158268E-02
0.69998996E-02 0.69840634E-02 0.69683274E-02 0.69527005E-02 0.69371907E-02
0.69218054E-02 0.69065510E-02 0.68914332E-02 0.68764567E-02 0.68616255E-02
0.68469424E-02 0.68324093E-02 0.68180272E-02 0.68037962E-02 0.67897153E-02
0.67757826E-02 0.67619954E-02 0.67483499E-02 0.67348415E-02 0.67214650E-02
0.67082139E-02 0.66950815E-02 0.66820600E-02 0.66691414E-02 0.66563167E-02
0.66435770E-02 0.66309126E-02 0.66183138E-02 0.66057709E-02 0.65932738E-02
0.65808130E-02 0.65683787E-02 0.65559616E-02 0.65435530E-02 0.65311442E-02
0.65187274E-02 0.65062953E-02 0.64938412E-02 0.64813592E-02 0.64688439E-02
0.64562910E-02 0.64436966E-02 0.64310580E-02 0.64183730E-02 0.64056404E-02
0.63928596E-02 0.63800311E-02 0.63671561E-02 0.63542365E-02 0.63412751E-02
0.63282753E-02 0.63152413E-02 0.63021781E-02 0.62890910E-02 0.62759860E-02
gradient corrections used for XC
5
atomic pseudo charge-density
0.10000000E+01 0.99507271E+00 0.98052707E+00 0.95704568E+00 0.92568373E+00
0.88776197E+00 0.84474519E+00 0.79812454E+00 0.74931839E+00 0.69959966E+00
0.65005177E+00 0.60155049E+00 0.55476631E+00 0.51018082E+00 0.46811135E+00
0.42873902E+00 0.39213662E+00 0.35829427E+00 0.32714173E+00 0.29856681E+00
0.27243019E+00 0.24857680E+00 0.22684441E+00 0.20706984E+00 0.18909339E+00
0.17276170E+00 0.15792970E+00 0.14446162E+00 0.13223147E+00 0.12112317E+00
0.11103030E+00 0.10185573E+00 0.93511122E-01 0.85916370E-01 0.78998981E-01
0.72693483E-01 0.66940835E-01 0.61687850E-01 0.56886663E-01 0.52494223E-01
0.48471824E-01 0.44784673E-01 0.41401501E-01 0.38294197E-01 0.35437485E-01
0.32808629E-01 0.30387170E-01 0.28154684E-01 0.26094570E-01 0.24191860E-01
0.22433043E-01 0.20805918E-01 0.19299454E-01 0.17903669E-01 0.16609522E-01
0.15408814E-01 0.14294104E-01 0.13258632E-01 0.12296247E-01 0.11401351E-01
0.10568838E-01 0.97940489E-02 0.90727275E-02 0.84009799E-02 0.77752401E-02
0.71922383E-02 0.66489732E-02 0.61426860E-02 0.56708380E-02 0.52310902E-02
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0.32398414E-03 0.27298355E-03 0.22695333E-03 0.18554536E-03 0.14843054E-03
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0.51327172E-07 0.53530909E-07 0.55271536E-07 0.56544387E-07 0.57348522E-07
0.57686661E-07 0.57565098E-07 0.56993581E-07 0.55985174E-07 0.54556096E-07
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0.38402512E-07 0.34704359E-07 0.30803023E-07 0.26732870E-07 0.22528949E-07
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0.39698979E-08 0.37750103E-08 0.35506830E-08 0.32992204E-08 0.30231294E-08
0.27250951E-08 0.24079556E-08 0.20746757E-08 0.17283203E-08 0.13720269E-08
0.10089773E-08 0.64236926E-09 0.27538869E-09 -0.88817403E-10 -0.44716714E-09
-0.79666932E-09 -0.11344482E-08 -0.14577675E-08 -0.17640519E-08 -0.20509075E-08
-0.23161397E-08 -0.25577690E-08 -0.27740457E-08 -0.29634625E-08 -0.31247643E-08
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-0.29480357E-08 -0.27692003E-08 -0.25691764E-08 -0.23500045E-08 -0.21138630E-08
-0.18630473E-08 -0.15999480E-08 -0.13270290E-08 -0.10468057E-08 -0.76182199E-09
-0.47462716E-09 -0.18775306E-09 0.96308187E-10 0.37512531E-09 0.64634793E-09
0.90772590E-09 0.11571279E-08 0.13925594E-08 0.16121782E-08 0.18143092E-08
0.19974559E-08 0.21603108E-08 0.23017642E-08 0.24209115E-08 0.25170591E-08
0.25897272E-08 0.26386511E-08 0.26637797E-08 0.26652723E-08 0.26434944E-08
0.25990115E-08 0.25325821E-08 0.24451476E-08 0.23378207E-08 0.22118726E-08
0.20687187E-08 0.19099044E-08 0.17370893E-08 0.15520315E-08 0.13565700E-08
0.11526064E-08 0.94208642E-09 0.72698183E-09 0.50927260E-09 0.29092981E-09
0.73898319E-10 -0.13992052E-09 -0.34868586E-09 -0.55063331E-09 -0.74408955E-09
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-0.16473378E-08 -0.17446241E-08 -0.18246510E-08 -0.18870155E-08 -0.19314795E-08
-0.19579702E-08 -0.19665787E-08 -0.19575564E-08 -0.19313105E-08 -0.18883962E-08
-0.18295095E-08 -0.17554778E-08 -0.16672513E-08 -0.15658926E-08 -0.14525654E-08
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0.19005491E-09 0.33777816E-09 0.47928315E-09 0.61340079E-09 0.73905256E-09
0.85525968E-09 0.96115109E-09 0.10559696E-08 0.11390764E-08 0.12099541E-08
0.12682090E-08 0.13135729E-08 0.13459040E-08 0.13651864E-08 0.13715280E-08
0.13651565E-08 0.13464140E-08 0.13157514E-08 0.12737218E-08 0.12209744E-08
0.11582468E-08 0.10863562E-08 0.10061901E-08 0.91869452E-09 0.82486429E-09
0.72573186E-09 0.62235757E-09 0.51581957E-09 0.40720333E-09 0.29759065E-09
0.18804839E-09 0.79617864E-10 -0.26694861E-10 -0.12992735E-09 -0.22916843E-09
-0.32356550E-09 -0.41233183E-09 -0.49475360E-09 -0.57019611E-09 -0.63810863E-09
-0.69802753E-09 -0.74957813E-09 -0.79247588E-09 -0.82652720E-09 -0.85163006E-09
-0.86777396E-09 -0.87503857E-09 -0.87359079E-09 -0.86368046E-09 -0.84563529E-09
-0.81985561E-09 -0.78680923E-09 -0.74702617E-09 -0.70109273E-09 -0.64964445E-09
-0.59335802E-09 -0.53294258E-09 -0.46913126E-09 -0.40267319E-09 -0.33432629E-09
-0.26485010E-09 -0.19499832E-09 -0.12551082E-09 -0.57105287E-10 0.95305931E-11
0.73746064E-10 0.13493289E-09 0.19253002E-09 0.24602779E-09 0.29497228E-09
0.33896962E-09 0.37768995E-09 0.41087033E-09 0.43831615E-09 0.45990107E-09
0.47556609E-09 0.48531828E-09 0.48922963E-09 0.48743576E-09 0.48013408E-09
0.46758068E-09 0.45008598E-09 0.42800915E-09 0.40175226E-09 0.37175461E-09
34.2040403932785 T
Non local Part
0 2 0.594199078900351
-1.78821932145992 -2.97948220375297 -2.97948220375297
-4.86951231451956
Reciprocal Space Part
0.18925024E+02 0.18753244E+02 0.18241190E+02 0.17398641E+02 0.16241658E+02
0.14792226E+02 0.13077777E+02 0.11130586E+02 0.89870706E+01 0.66869981E+01
0.42726328E+01 0.17878314E+01 -0.72288486E+00 -0.32152612E+01 -0.56462225E+01
-0.79747469E+01 -0.10162679E+02 -0.12175468E+02 -0.13982809E+02 -0.15559178E+02
-0.16884251E+02 -0.17943198E+02 -0.18726842E+02 -0.19231691E+02 -0.19459846E+02
-0.19418769E+02 -0.19120958E+02 -0.18583499E+02 -0.17827533E+02 -0.16877652E+02
-0.15761228E+02 -0.14507703E+02 -0.13147858E+02 -0.11713076E+02 -0.10234617E+02
-0.87429281E+01 -0.72669933E+01 -0.58337520E+01 -0.44675860E+01 -0.31898917E+01
-0.20187428E+01 -0.96864912E+00 -0.50413695E-01 0.72891258E+00 0.13659809E+01
0.18610048E+01 0.22175383E+01 0.24421811E+01 0.25442210E+01 0.25352276E+01
0.24286080E+01 0.22391400E+01 0.19824943E+01 0.16747613E+01 0.13319932E+01
0.96977378E+00 0.60282627E+00 0.24466820E+00 -0.92679993E-01 -0.39892687E+00
-0.66567918E+00 -0.88654687E+00 -0.10571842E+01 -0.11752696E+01 -0.12404272E+01
-0.12540967E+01 -0.12193576E+01 -0.11407144E+01 -0.10238539E+01 -0.87537989E+00
-0.70253781E+00 -0.51293552E+00 -0.31427052E+00 -0.11407096E+00 0.80542405E-01
0.26306687E+00 0.42779621E+00 0.56996294E+00 0.68584203E+00 0.77281476E+00
0.82939296E+00 0.85520488E+00 0.85094532E+00 0.81829337E+00 0.75980224E+00
0.67876615E+00 0.57906982E+00 0.46502638E+00 0.34120952E+00 0.21228587E+00
0.82852854E-01 -0.42712696E-01 -0.16039078E+00 -0.26663557E+00 -0.35847089E+00
-0.43356164E+00 -0.49026014E+00 -0.52762691E+00 -0.54542645E+00 -0.54409949E+00
Real Space Part
-0.40771874E+03 -0.40753896E+03 -0.40699980E+03 -0.40610179E+03 -0.40484584E+03
-0.40323317E+03 -0.40126543E+03 -0.39894456E+03 -0.39627294E+03 -0.39325326E+03
-0.38988862E+03 -0.38618249E+03 -0.38213873E+03 -0.37776160E+03 -0.37305575E+03
-0.36802623E+03 -0.36267853E+03 -0.35701856E+03 -0.35105263E+03 -0.34478754E+03
-0.33823053E+03 -0.33138928E+03 -0.32427199E+03 -0.31688731E+03 -0.30924442E+03
-0.30135300E+03 -0.29322326E+03 -0.28486596E+03 -0.27629239E+03 -0.26751445E+03
-0.25854458E+03 -0.24939585E+03 -0.24008192E+03 -0.23061710E+03 -0.22101631E+03
-0.21129516E+03 -0.20146991E+03 -0.19155749E+03 -0.18157555E+03 -0.17154243E+03
-0.16147720E+03 -0.15139966E+03 -0.14133033E+03 -0.13129052E+03 -0.12130225E+03
-0.11138833E+03 -0.10157234E+03 -0.91878614E+02 -0.82332275E+02 -0.72959210E+02
-0.63786081E+02 -0.54840313E+02 -0.46150094E+02 -0.37744362E+02 -0.29652792E+02
-0.21905789E+02 -0.14534463E+02 -0.75706153E+01 -0.10467120E+01 0.50041396E+01
0.10548223E+02 0.15551203E+02 0.19976833E+02 0.23947352E+02 0.28057103E+02
0.32338822E+02 0.36756611E+02 0.41274501E+02 0.45854087E+02 0.50457194E+02
0.55044366E+02 0.59574678E+02 0.64009290E+02 0.68302968E+02 0.72418209E+02
0.76306628E+02 0.79930545E+02 0.83241124E+02 0.86197352E+02 0.88754146E+02
0.90864763E+02 0.92488430E+02 0.93575677E+02 0.94085369E+02 0.93971950E+02
0.93189061E+02 0.91697272E+02 0.89448671E+02 0.86402820E+02 0.82519024E+02
0.77752053E+02 0.72065975E+02 0.65420062E+02 0.57774350E+02 0.49096829E+02
0.39342887E+02 0.28494130E+02 0.16679271E+02 0.24365950E+01 0.00000000E+00
Reciprocal Space Part
-0.84380410E+01 -0.83422438E+01 -0.80567334E+01 -0.75871107E+01 -0.69425723E+01
-0.61357053E+01 -0.51822091E+01 -0.41005476E+01 -0.29115427E+01 -0.16379187E+01
-0.30380665E+00 0.10657764E+01 0.24454634E+01 0.38100749E+01 0.51351445E+01
0.63974224E+01 0.75753432E+01 0.86494483E+01 0.96027546E+01 0.10421059E+02
0.11093177E+02 0.11611104E+02 0.11970108E+02 0.12168737E+02 0.12208760E+02
0.12095033E+02 0.11835297E+02 0.11439917E+02 0.10921569E+02 0.10294884E+02
0.95760537E+01 0.87824183E+01 0.79320389E+01 0.70432682E+01 0.61343304E+01
0.52229190E+01 0.43258233E+01 0.34585913E+01 0.26352349E+01 0.18679857E+01
0.11671029E+01 0.54073871E+00 -0.51398183E-02 -0.46677084E+00 -0.84256280E+00
-0.11330071E+01 -0.13405429E+01 -0.14693797E+01 -0.15252839E+01 -0.15153369E+01
-0.14476719E+01 -0.13311980E+01 -0.11753186E+01 -0.98965315E+00 -0.78376785E+00
-0.56692421E+00 -0.34784975E+00 -0.13453686E+00 0.65926241E-01 0.24748936E+00
0.40523719E+00 0.53544814E+00 0.63561572E+00 0.70443365E+00 0.74174714E+00
0.74847352E+00 0.72649622E+00 0.67853658E+00 0.60800854E+00 0.51886135E+00
0.41541576E+00 0.30219888E+00 0.18378284E+00 0.64631822E-01 -0.51038094E-01
-0.15938292E+00 -0.25703544E+00 -0.34118841E+00 -0.40965496E+00 -0.46090536E+00
-0.49408034E+00 -0.50898186E+00 -0.50604272E+00 -0.48627714E+00 -0.45121495E+00
-0.40282234E+00 -0.34341239E+00 -0.27554896E+00 -0.20194725E+00 -0.12537458E+00
-0.48554605E-01 0.25922105E-01 0.95678383E-01 0.15861958E+00 0.21298966E+00
0.25741315E+00 0.29092207E+00 0.31296789E+00 0.32341870E+00 0.32254242E+00
Real Space Part
0.25837316E+03 0.25826205E+03 0.25792885E+03 0.25737389E+03 0.25659772E+03
0.25560112E+03 0.25438510E+03 0.25295089E+03 0.25129994E+03 0.24943396E+03
0.24735486E+03 0.24506480E+03 0.24256618E+03 0.23986166E+03 0.23695411E+03
0.23384669E+03 0.23054280E+03 0.22704609E+03 0.22336050E+03 0.21949022E+03
0.21543976E+03 0.21121386E+03 0.20681758E+03 0.20225630E+03 0.19753567E+03
0.19266166E+03 0.18764058E+03 0.18247905E+03 0.17718404E+03 0.17176285E+03
0.16622314E+03 0.16057294E+03 0.15482062E+03 0.14897495E+03 0.14304509E+03
0.13704057E+03 0.13097133E+03 0.12484773E+03 0.11868051E+03 0.11248087E+03
0.10626040E+03 0.10003117E+03 0.93805629E+02 0.87596714E+02 0.81417789E+02
0.75282668E+02 0.69205618E+02 0.63201357E+02 0.57285056E+02 0.51472335E+02
0.45779265E+02 0.40222362E+02 0.34818582E+02 0.29585317E+02 0.24540384E+02
0.19702020E+02 0.15088866E+02 0.10719959E+02 0.66147158E+01 0.27929175E+01
-0.72531069E+00 -0.39194941E+01 -0.67680320E+01 -0.93444442E+01 -0.12005009E+02
-0.14768401E+02 -0.17612181E+02 -0.20513962E+02 -0.23449994E+02 -0.26396758E+02
-0.29330056E+02 -0.32224898E+02 -0.35057623E+02 -0.37800836E+02 -0.40431827E+02
-0.42921481E+02 -0.45247126E+02 -0.47379523E+02 -0.49294153E+02 -0.50964143E+02
-0.52361696E+02 -0.53462620E+02 -0.54237620E+02 -0.54662401E+02 -0.54710098E+02
-0.54353424E+02 -0.53569243E+02 -0.52329443E+02 -0.50610382E+02 -0.48388306E+02
-0.45636819E+02 -0.42335059E+02 -0.38459367E+02 -0.33986566E+02 -0.28898211E+02
-0.23168446E+02 -0.16786908E+02 -0.98299898E+01 -0.14364499E+01 0.00000000E+00
Non local Part
1 1 0.594199078900351
-0.477478817810334
Reciprocal Space Part
0.00000000E+00 0.15279168E+00 0.30752124E+00 0.46604653E+00 0.63006765E+00
0.80105405E+00 0.98017828E+00 0.11682588E+01 0.13657131E+01 0.15725231E+01
0.17882131E+01 0.20118422E+01 0.22420100E+01 0.24768769E+01 0.27141978E+01
0.29513677E+01 0.31854799E+01 0.34133929E+01 0.36318064E+01 0.38373418E+01
0.40266279E+01 0.41963873E+01 0.43435215E+01 0.44651933E+01 0.45589034E+01
0.46225593E+01 0.46545348E+01 0.46537180E+01 0.46195474E+01 0.45520344E+01
0.44517717E+01 0.43199273E+01 0.41582255E+01 0.39689131E+01 0.37547138E+01
0.35187715E+01 0.32645831E+01 0.29959239E+01 0.27167668E+01 0.24311973E+01
0.21433272E+01 0.18572087E+01 0.15767505E+01 0.13056396E+01 0.10472690E+01
0.80467403E+00 0.58047788E+00 0.37684898E+00 0.19546929E+00 0.37515357E-01
-0.96348385E-01 -0.20596384E+00 -0.29166167E+00 -0.35423266E+00 -0.39488898E+00
-0.41521676E+00 -0.41712134E+00 -0.40276697E+00 -0.37451262E+00 -0.33484566E+00
-0.28631536E+00 -0.23146775E+00 -0.17278367E+00 -0.11262148E+00 -0.53165628E-01
0.36175780E-02 0.56016277E-01 0.10260074E+00 0.14224207E+00 0.17412178E+00
0.19773248E+00 0.21286995E+00 0.21961732E+00 0.21832218E+00 0.20956746E+00
0.19413743E+00 0.17297989E+00 0.14716579E+00 0.11784774E+00 0.86218533E-01
0.53470926E-01 0.20759875E-01 -0.10831888E-01 -0.40323998E-01 -0.66863680E-01
-0.89745523E-01 -0.10842549E+00 -0.12252907E+00 -0.13185353E+00 -0.13636468E+00
-0.13618832E+00 -0.13159712E+00 -0.12299346E+00 -0.11088897E+00 -0.95881731E-01
-0.78631844E-01 -0.59836272E-01 -0.40203856E-01 -0.20431252E-01 -0.11805371E-02
Real Space Part
0.00000000E+00 0.36016470E+01 0.71942522E+01 0.10768800E+02 0.14316325E+02
0.17827942E+02 0.21294866E+02 0.24708440E+02 0.28060163E+02 0.31341709E+02
0.34544954E+02 0.37662004E+02 0.40685209E+02 0.43607194E+02 0.46420881E+02
0.49119503E+02 0.51696633E+02 0.54146202E+02 0.56462517E+02 0.58640278E+02
0.60674600E+02 0.62561027E+02 0.64295548E+02 0.65874613E+02 0.67295142E+02
0.68554544E+02 0.69650724E+02 0.70582093E+02 0.71347581E+02 0.71946638E+02
0.72379246E+02 0.72645920E+02 0.72747716E+02 0.72686227E+02 0.72463589E+02
0.72082479E+02 0.71546110E+02 0.70858231E+02 0.70023121E+02 0.69045580E+02
0.67930924E+02 0.66684975E+02 0.65314048E+02 0.63824939E+02 0.62224913E+02
0.60521687E+02 0.58723413E+02 0.56838660E+02 0.54876394E+02 0.52845959E+02
0.50757054E+02 0.48619706E+02 0.46444251E+02 0.44241304E+02 0.42021734E+02
0.39796636E+02 0.37577302E+02 0.35375190E+02 0.33201894E+02 0.31069116E+02
0.28988627E+02 0.26972250E+02 0.25032102E+02 0.23146954E+02 0.21198081E+02
0.19186272E+02 0.17126556E+02 0.15033706E+02 0.12922679E+02 0.10808038E+02
0.87042218E+01 0.66255492E+01 0.45854845E+01 0.25982885E+01 0.67621131E+00
-0.11668827E+01 -0.29197381E+01 -0.45694937E+01 -0.61053510E+01 -0.75163038E+01
-0.87916195E+01 -0.99222707E+01 -0.10898201E+02 -0.11711497E+02 -0.12354019E+02
-0.12818083E+02 -0.13097844E+02 -0.13186511E+02 -0.13079209E+02 -0.12771576E+02
-0.12258995E+02 -0.11539032E+02 -0.10608916E+02 -0.94665225E+01 -0.81115752E+01
-0.65421253E+01 -0.47610403E+01 -0.27960553E+01 -0.41220264E+00 0.00000000E+00
PAW radial sets
363 0.520134355386775
(5E20.12)
augmentation charges (non sperical)
0.136235920566E-01 0.259291988841E-01 0.160051128787E-02 0.259291988841E-01 0.489927346999E-01
0.414104798650E-02 0.160051128787E-02 0.414104798650E-02 -0.308695800982E-02
uccopancies in atom
0.999999998693E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
grid
0.116365397438E-04 0.120001524756E-04 0.123751271949E-04 0.127618189353E-04 0.131605938244E-04
0.135718294303E-04 0.139959151194E-04 0.144332524243E-04 0.148842554251E-04 0.153493511404E-04
0.158289799324E-04 0.163235959232E-04 0.168336674253E-04 0.173596773848E-04 0.179021238385E-04
0.184615203857E-04 0.190383966745E-04 0.196332989028E-04 0.202467903364E-04 0.208794518411E-04
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core charge-density
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kinetic energy-density
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local pseudopotential core
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-0.607033292405E+02 -0.606062571352E+02 -0.605036963548E+02 -0.603953731371E+02 -0.602810037826E+02
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-0.452592148634E+02 -0.444404713407E+02 -0.435825510393E+02 -0.426831724667E+02 -0.417399533181E+02
-0.407504312143E+02 -0.397120881008E+02 -0.386223762173E+02 -0.375238282596E+02 -0.364583488277E+02
-0.354223615172E+02 -0.344120532299E+02 -0.334233282092E+02 -0.324518753275E+02 -0.314932332910E+02
-0.305430031328E+02 -0.295972189875E+02 -0.286529121405E+02 -0.277138961731E+02 -0.268807027160E+02
-0.260664130351E+02 -0.252730858705E+02 -0.245093210951E+02 -0.237369804927E+02 -0.230177326346E+02
-0.223202792622E+02 -0.216439601545E+02 -0.209881352061E+02 -0.203521808893E+02 -0.197354951450E+02
-0.191374976575E+02 -0.185576198385E+02 -0.179953113192E+02
pspotential valence only
-0.835364443183E+01 -0.835480471514E+01 -0.835592983867E+01 -0.835702087007E+01 -0.835807884224E+01
-0.835910475745E+01 -0.836009958644E+01 -0.836106427094E+01 -0.836199972487E+01 -0.836290683408E+01
-0.836378645693E+01 -0.836463942654E+01 -0.836546655033E+01 -0.836626861160E+01 -0.836704636979E+01
-0.836780056104E+01 -0.836853189944E+01 -0.836924107781E+01 -0.836992876738E+01 -0.837059561908E+01
-0.837124226465E+01 -0.837186931595E+01 -0.837247736699E+01 -0.837306699323E+01 -0.837363875307E+01
-0.837419318797E+01 -0.837473082266E+01 -0.837525216614E+01 -0.837575771220E+01 -0.837624793930E+01
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-0.838234733196E+01 -0.838263787479E+01 -0.838291961258E+01 -0.838319281205E+01 -0.838345773176E+01
-0.838371462259E+01 -0.838396372759E+01 -0.838420528259E+01 -0.838443951627E+01 -0.838466665035E+01
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-0.838913326065E+01 -0.838921794676E+01 -0.838930005033E+01 -0.838937964851E+01 -0.838945681606E+01
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-0.839062602512E+01 -0.839066452601E+01 -0.839070178326E+01 -0.839073782960E+01 -0.839077269660E+01
-0.839080641434E+01 -0.839083901186E+01 -0.839087051687E+01 -0.839090095570E+01 -0.839093035370E+01
-0.839095873478E+01 -0.839098612190E+01 -0.839101253651E+01 -0.839103799908E+01 -0.839106252886E+01
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-0.839127508150E+01 -0.839128947488E+01 -0.839130307320E+01 -0.839131587777E+01 -0.839132788850E+01
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-0.839138307106E+01 -0.839138938381E+01 -0.839139484120E+01 -0.839139942698E+01 -0.839140312271E+01
-0.839140590779E+01 -0.839140775907E+01 -0.839140865094E+01 -0.839140855513E+01 -0.839140744065E+01
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-0.839121223965E+01 -0.839118546856E+01 -0.839115641684E+01 -0.839112495749E+01 -0.839109095480E+01
-0.839105426415E+01 -0.839101473099E+01 -0.839097219072E+01 -0.839092646773E+01 -0.839087737479E+01
-0.839082471244E+01 -0.839076826815E+01 -0.839070781547E+01 -0.839064311316E+01 -0.839057390440E+01
-0.839049991574E+01 -0.839042085596E+01 -0.839033641510E+01 -0.839024626330E+01 -0.839015004933E+01
-0.839004739951E+01 -0.838993791623E+01 -0.838982117647E+01 -0.838969673001E+01 -0.838956409812E+01
-0.838942277124E+01 -0.838927220763E+01 -0.838911183092E+01 -0.838894102811E+01 -0.838875914737E+01
-0.838856549542E+01 -0.838835933502E+01 -0.838813988229E+01 -0.838790630374E+01 -0.838765771312E+01
-0.838739316829E+01 -0.838711166753E+01 -0.838681214591E+01 -0.838649347164E+01 -0.838615444150E+01
-0.838579377646E+01 -0.838541011741E+01 -0.838500201972E+01 -0.838456794809E+01 -0.838410627128E+01
-0.838361525580E+01 -0.838309305977E+01 -0.838253772635E+01 -0.838194717663E+01 -0.838131920226E+01
-0.838065145751E+01 -0.837994145100E+01 -0.837918653680E+01 -0.837838390521E+01 -0.837753057294E+01
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-0.837115417245E+01 -0.836984548046E+01 -0.836845459399E+01 -0.836697642402E+01 -0.836540557461E+01
-0.836373632572E+01 -0.836196261482E+01 -0.836007801782E+01 -0.835807572911E+01 -0.835594854109E+01
-0.835368882185E+01 -0.835128849308E+01 -0.834873900633E+01 -0.834603131868E+01 -0.834315586743E+01
-0.834010254432E+01 -0.833686066826E+01 -0.833341895804E+01 -0.832976550409E+01 -0.832588773939E+01
-0.832177241045E+01 -0.831740554780E+01 -0.831277243594E+01 -0.830785758371E+01 -0.830264469495E+01
-0.829711663949E+01 -0.829125542484E+01 -0.828504216962E+01 -0.827845707784E+01 -0.827147941596E+01
-0.826408749197E+01 -0.825625863814E+01 -0.824796919746E+01 -0.823919451474E+01 -0.822990893335E+01
-0.822008579863E+01 -0.820969746880E+01 -0.819871533457E+01 -0.818710984941E+01 -0.817485057107E+01
-0.816190621669E+01 -0.814824473295E+01 -0.813383338323E+01 -0.811863885406E+01 -0.810262738249E+01
-0.808576490830E+01 -0.806801725156E+01 -0.804935032004E+01 -0.802973034831E+01 -0.800912417210E+01
-0.798749954069E+01 -0.796482547035E+01 -0.794107264255E+01 -0.791621384903E+01 -0.789022448811E+01
-0.786308311389E+01 -0.783477204132E+01 -0.780527800950E+01 -0.777459290460E+01 -0.774271454385E+01
-0.770964752036E+01 -0.767540410909E+01 -0.764000523083E+01 -0.760348147294E+01 -0.756587416102E+01
-0.752723647588E+01 -0.748763460806E+01 -0.744714893951E+01 -0.740587524014E+01 -0.736392586472E+01
-0.732143093256E+01 -0.727853946978E+01 -0.723542049159E+01 -0.719226399780E+01 -0.714928185317E+01
-0.710670851951E+01 -0.706480160447E+01 -0.702384218697E+01 -0.698413487725E+01 -0.694600756435E+01
-0.690981080034E+01 -0.687591676636E+01 -0.684471775960E+01 -0.681662413693E+01 -0.679206164257E+01
-0.677146804349E+01 -0.675528898808E+01 -0.674397299915E+01 -0.673796550700E+01 -0.673770182678E+01
-0.674359898675E+01 -0.675604632403E+01 -0.677539478319E+01 -0.680194488747E+01 -0.683593340293E+01
-0.687751878849E+01 -0.692676562062E+01 -0.698362829905E+01 -0.704793447378E+01 -0.711936876866E+01
-0.719745748841E+01 -0.728155504693E+01 -0.737083279537E+01 -0.746427070562E+01 -0.756065192903E+01
-0.765855958948E+01 -0.775637434022E+01 -0.785227039992E+01 -0.794420735060E+01 -0.802991551862E+01
-0.810687506150E+01 -0.817229377835E+01 -0.822309665426E+01 -0.825595081217E+01 -0.826736090807E+01
-0.825387848207E+01 -0.821247059100E+01 -0.814108762803E+01 -0.804444361476E+01 -0.802396209553E+01
-0.799360565649E+01 -0.795629702880E+01 -0.792149596577E+01 -0.785191062927E+01 -0.781004819483E+01
-0.776543219354E+01 -0.771821750745E+01 -0.766856247326E+01 -0.761663264758E+01 -0.756259230646E+01
-0.750660579095E+01 -0.744883026007E+01 -0.738941079276E+01
core charge-density (pseudized)
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
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
0.414785367787E-04 0.427746371994E-04 0.441112375129E-04 0.454896032396E-04 0.469110394440E-04
0.483768919707E-04 0.498885487186E-04 0.514474409548E-04 0.530550446701E-04 0.547128819762E-04
0.564225225471E-04 0.581855851051E-04 0.600037389534E-04 0.618787055569E-04 0.638122601720E-04
0.658062335272E-04 0.678625135570E-04 0.699830471888E-04 0.721698421869E-04 0.744249690528E-04
0.767505629864E-04 0.791488259071E-04 0.816220285387E-04 0.841725125594E-04 0.868026928191E-04
0.895150596257E-04 0.923121811028E-04 0.951967056217E-04 0.981713643084E-04 0.101238973630E-03
0.104402438061E-03 0.107664752833E-03 0.111029006771E-03 0.114498385221E-03 0.118076173058E-03
0.121765757805E-03 0.125570632834E-03 0.129494400680E-03 0.133540776443E-03 0.137713591314E-03
0.142016796198E-03 0.146454465457E-03 0.151030800765E-03 0.155750135088E-03 0.160616936788E-03
0.165635813850E-03 0.170811518247E-03 0.176148950441E-03 0.181653164020E-03 0.187329370483E-03
0.193182944178E-03 0.199219427384E-03 0.205444535565E-03 0.211864162779E-03 0.218484387257E-03
0.225311477159E-03 0.232351896512E-03 0.239612311324E-03 0.247099595901E-03 0.254820839354E-03
0.262783352309E-03 0.270994673833E-03 0.279462578567E-03 0.288195084092E-03 0.297200458517E-03
0.306487228309E-03 0.316064186364E-03 0.325940400336E-03 0.336125221219E-03 0.346628292200E-03
0.357459557795E-03 0.368629273256E-03 0.380148014289E-03 0.392026687062E-03 0.404276538534E-03
0.416909167100E-03 0.429936533579E-03 0.443370972532E-03 0.457225203944E-03 0.471512345266E-03
0.486245923835E-03 0.501439889685E-03 0.517108628749E-03 0.533266976484E-03 0.549930231917E-03
0.567114172129E-03 0.584835067193E-03 0.603109695579E-03 0.621955360039E-03 0.641389903992E-03
0.661431728415E-03 0.682099809267E-03 0.703413715453E-03 0.725393627355E-03 0.748060355938E-03
0.771435362451E-03 0.795540778750E-03 0.820399428249E-03 0.846034847532E-03 0.872471308636E-03
0.899733842030E-03 0.927848260314E-03 0.956841182660E-03 0.986740060012E-03 0.101757320108E-02
0.104936979913E-02 0.108215995964E-02 0.111597472880E-02 0.115084612288E-02 0.118680715859E-02
0.122389188428E-02 0.126213541224E-02 0.130157395188E-02 0.134224484406E-02 0.138418659640E-02
0.142743891978E-02 0.147204276590E-02 0.151804036608E-02 0.156547527119E-02 0.161439239296E-02
0.166483804643E-02 0.171685999380E-02 0.177050748970E-02 0.182583132776E-02 0.188288388872E-02
0.194171919003E-02 0.200239293696E-02 0.206496257533E-02 0.212948734592E-02 0.219602834053E-02
0.226464855980E-02 0.233541297287E-02 0.240838857884E-02 0.248364447025E-02 0.256125189841E-02
0.264128434088E-02 0.272381757101E-02 0.280892972967E-02 0.289670139919E-02 0.298721567961E-02
0.308055826737E-02 0.317681753640E-02 0.327608462172E-02 0.337845350573E-02 0.348402110710E-02
0.359288737254E-02 0.370515537131E-02 0.382093139279E-02 0.394032504703E-02 0.406344936843E-02
0.419042092274E-02 0.432135991728E-02 0.445639031465E-02 0.459563995005E-02 0.473924065212E-02
0.488732836767E-02 0.504004329024E-02 0.519752999266E-02 0.535993756379E-02 0.552741974947E-02
0.570013509785E-02 0.587824710933E-02 0.606192439106E-02 0.625134081632E-02 0.644667568884E-02
0.664811391223E-02 0.685584616468E-02 0.707006907908E-02 0.729098542879E-02 0.751880431907E-02
0.775374138462E-02 0.799601899308E-02 0.824586645497E-02 0.850352024011E-02 0.876922420069E-02
0.904322980136E-02 0.932579635636E-02 0.961719127403E-02 0.991769030887E-02 0.102275778214E-01
0.105471470461E-01 0.108767003676E-01 0.112165496050E-01 0.115670163059E-01 0.119284320486E-01
0.123011387538E-01 0.126854890063E-01 0.130818463860E-01 0.134905858093E-01 0.139120938812E-01
0.143467692580E-01 0.147950230206E-01 0.152572790602E-01 0.157339744748E-01 0.162255599782E-01
0.167325003215E-01 0.172552747271E-01 0.177943773362E-01 0.183503176692E-01 0.189236211007E-01
0.195148293481E-01 0.201245009754E-01 0.207532119118E-01 0.214015559855E-01 0.220701454738E-01
0.227596116692E-01 0.234706054626E-01 0.242037979426E-01 0.249598810139E-01 0.257395680323E-01
0.265435944586E-01 0.273727185319E-01 0.282277219614E-01 0.291094106381E-01 0.300186153670E-01
0.309561926200E-01 0.319230253087E-01 0.329200235802E-01 0.339481256339E-01 0.350082985601E-01
0.361015392022E-01 0.372288750413E-01 0.383913651041E-01 0.395901008945E-01 0.408262073491E-01
0.421008438169E-01 0.434152050633E-01 0.447705222981E-01 0.461680642294E-01 0.476091381406E-01
0.490950909928E-01 0.506273105521E-01 0.522072265401E-01 0.538363118098E-01 0.555160835441E-01
0.572481044777E-01 0.590339841421E-01 0.608753801312E-01 0.627739993889E-01 0.647315995152E-01
0.667499900910E-01 0.688310340195E-01 0.709766488824E-01 0.731888083088E-01 0.754695433540E-01
0.778209438860E-01 0.802451599766E-01 0.827444032925E-01 0.853209484837E-01 0.879771345639E-01
0.907153662777E-01 0.935381154496E-01 0.964479223078E-01 0.994473967758E-01 0.102539219724E+00
0.105726144173E+00 0.109010996438E+00 0.112396677203E+00 0.115886162516E+00 0.119482504687E+00
0.123188833080E+00 0.127008354774E+00 0.130944355091E+00 0.135000197951E+00 0.139179326050E+00
0.143485260827E+00 0.147921602201E+00 0.152492028045E+00 0.157200293368E+00 0.162050229166E+00
0.167045740922E+00 0.172190806688E+00 0.177489474731E+00 0.182945860675E+00 0.188564144105E+00
0.194348564557E+00 0.200303416853E+00 0.206433045696E+00 0.212741839465E+00 0.219234223136E+00
0.225914650223E+00 0.232787593684E+00 0.239857535657E+00 0.247128955958E+00 0.254606319203E+00
0.262294060450E+00 0.270196569233E+00 0.278318171849E+00 0.286663111765E+00 0.295235527991E+00
0.304039431264E+00 0.313078677880E+00 0.322356941004E+00 0.331877679291E+00 0.341644102622E+00
0.351659134795E+00 0.361925372969E+00 0.372445043698E+00 0.383219955360E+00 0.394251446830E+00
0.405540332228E+00 0.417086841608E+00 0.428890557474E+00 0.440950347037E+00 0.453264290164E+00
0.465829603023E+00 0.478642557491E+00 0.491698396446E+00 0.504991245181E+00 0.518514019247E+00
0.532258329181E+00 0.546214382699E+00 0.560370885106E+00 0.574714938854E+00 0.589231943403E+00
0.603905496772E+00 0.618717300433E+00 0.633647069500E+00 0.648672450501E+00 0.663768949338E+00
0.678909872439E+00 0.694066284487E+00 0.709206986479E+00 0.724298518283E+00 0.739305190214E+00
0.754189148450E+00 0.768910479380E+00 0.783427358095E+00 0.797696246219E+00 0.811672144064E+00
0.825308901556E+00 0.838559591593E+00 0.851376948150E+00 0.863713869646E+00 0.875523985597E+00
0.886762281306E+00 0.897385771145E+00 0.907354205780E+00 0.916630792245E+00 0.925182898117E+00
0.932982701978E+00 0.940007741963E+00 0.946241302505E+00 0.951672566592E+00 0.956296447395E+00
0.960112999468E+00 0.963126296910E+00 0.965342654966E+00 0.966768064320E+00 0.967404705877E+00
0.967246420825E+00 0.966273029454E+00 0.964433274187E+00 0.961700484870E+00 0.958043687182E+00
0.953448253882E+00 0.947902101021E+00 0.941395881254E+00 0.933923173003E+00 0.925480666844E+00
0.916068344042E+00 0.905689647106E+00 0.894351638945E+00
ae wavefunction
0.581013143449E-04 0.599167371659E-04 0.617888830471E-04 0.637195242216E-04 0.657104882907E-04
0.677636599495E-04 0.698809827764E-04 0.720644610598E-04 0.743161617065E-04 0.766382161862E-04
0.790328225642E-04 0.815022475620E-04 0.840488287137E-04 0.866749765768E-04 0.893831770074E-04
0.921759935143E-04 0.950560696908E-04 0.980261317024E-04 0.101088990872E-03 0.104247546347E-03
0.107504787832E-03 0.110863798413E-03 0.114327757490E-03 0.117899943761E-03 0.121583738344E-03
0.125382627964E-03 0.129300208258E-03 0.133340187159E-03 0.137506388430E-03 0.141802755229E-03
0.146233353933E-03 0.150802377851E-03 0.155514151317E-03 0.160373133683E-03 0.165383923581E-03
0.170551263291E-03 0.175880043150E-03 0.181375306262E-03 0.187042253193E-03 0.192886246927E-03
0.198912817940E-03 0.205127669385E-03 0.211536682530E-03 0.218145922283E-03 0.224961642924E-03
0.231990294059E-03 0.239238526646E-03 0.246713199325E-03 0.254421384879E-03 0.262370376936E-03
0.270567696823E-03 0.279021100692E-03 0.287738586859E-03 0.296728403326E-03 0.305999055594E-03
0.315559314673E-03 0.325418225387E-03 0.335585114891E-03 0.346069601487E-03 0.356881603708E-03
0.368031349657E-03 0.379529386682E-03 0.391386591315E-03 0.403614179537E-03 0.416223717368E-03
0.429227131760E-03 0.442636721876E-03 0.456465170605E-03 0.470725556669E-03 0.485431366819E-03
0.500596508616E-03 0.516235323526E-03 0.532362600390E-03 0.548993589469E-03 0.566144016696E-03
0.583830098569E-03 0.602068557377E-03 0.620876636957E-03 0.640272118991E-03 0.660273339634E-03
0.680899206869E-03 0.702169218257E-03 0.724103479274E-03 0.746722722256E-03 0.770048325886E-03
0.794102335271E-03 0.818907482703E-03 0.844487209013E-03 0.870865685584E-03 0.898067837081E-03
0.926119364831E-03 0.955046771002E-03 0.984877383438E-03 0.101563938133E-02 0.104736182165E-02
0.108007466639E-02 0.111380881070E-02 0.114859611181E-02 0.118446941889E-02 0.122146260383E-02
0.125961059297E-02 0.129894939981E-02 0.133951615865E-02 0.138134915941E-02 0.142448788339E-02
0.146897304021E-02 0.151484660577E-02 0.156215186156E-02 0.161093343507E-02 0.166123734132E-02
0.171311102592E-02 0.176660340918E-02 0.182176493184E-02 0.187864760193E-02 0.193730504326E-02
0.199779254529E-02 0.206016711458E-02 0.212448752770E-02 0.219081438592E-02 0.225921017140E-02
0.232973930523E-02 0.240246820706E-02 0.247746535673E-02 0.255480135765E-02 0.263454900211E-02
0.271678333861E-02 0.280158174119E-02 0.288902398086E-02 0.297919229917E-02 0.307217148403E-02
0.316804894779E-02 0.326691480767E-02 0.336886196859E-02 0.347398620851E-02 0.358238626627E-02
0.369416393215E-02 0.380942414102E-02 0.392827506835E-02 0.405082822902E-02 0.417719857913E-02
0.430750462074E-02 0.444186850982E-02 0.458041616720E-02 0.472327739308E-02 0.487058598463E-02
0.502247985724E-02 0.517910116915E-02 0.534059644991E-02 0.550711673245E-02 0.567881768901E-02
0.585585977118E-02 0.603840835367E-02 0.622663388261E-02 0.642071202781E-02 0.662082383960E-02
0.682715591007E-02 0.703990053892E-02 0.725925590407E-02 0.748542623707E-02 0.771862200347E-02
0.795906008839E-02 0.820696398706E-02 0.846256400093E-02 0.872609743914E-02 0.899780882560E-02
0.927795011168E-02 0.956678089500E-02 0.986456864395E-02 0.101715889285E-01 0.104881256572E-01
0.108144713206E-01 0.111509272409E-01 0.114978038291E-01 0.118554208479E-01 0.122241076822E-01
0.126042036164E-01 0.129960581193E-01 0.134000311356E-01 0.138164933858E-01 0.142458266728E-01
0.146884241969E-01 0.151446908786E-01 0.156150436887E-01 0.160999119876E-01 0.165997378717E-01
0.171149765292E-01 0.176460966034E-01 0.181935805649E-01 0.187579250929E-01 0.193396414644E-01
0.199392559524E-01 0.205573102336E-01 0.211943618041E-01 0.218509844046E-01 0.225277684540E-01
0.232253214936E-01 0.239442686372E-01 0.246852530338E-01 0.254489363364E-01 0.262359991824E-01
0.270471416785E-01 0.278830838993E-01 0.287445663912E-01 0.296323506855E-01 0.305472198214E-01
0.314899788745E-01 0.324614554933E-01 0.334625004450E-01 0.344939881698E-01 0.355568173317E-01
0.366519113986E-01 0.377802191940E-01 0.389427154917E-01 0.401404015838E-01 0.413743058773E-01
0.426454844691E-01 0.439550217526E-01 0.453040309991E-01 0.466936549603E-01 0.481250664644E-01
0.495994689941E-01 0.511180972926E-01 0.526822179489E-01 0.542931299699E-01 0.559521653734E-01
0.576606897241E-01 0.594201027368E-01 0.612318387654E-01 0.630973673905E-01 0.650181938885E-01
0.669958597653E-01 0.690319431776E-01 0.711280594635E-01 0.732858614799E-01 0.755070400653E-01
0.777933243748E-01 0.801464821699E-01 0.825683201490E-01 0.850606842124E-01 0.876254595424E-01
0.902645708336E-01 0.929799823656E-01 0.957736979628E-01 0.986477609665E-01 0.101604254134E+00
0.104645299328E+00 0.107773057354E+00 0.110989727457E+00 0.114297546877E+00 0.117698790200E+00
0.121195768643E+00 0.124790829246E+00 0.128486353803E+00 0.132284757798E+00 0.136188489067E+00
0.140200026383E+00 0.144321877735E+00 0.148556578675E+00 0.152906690045E+00 0.157374796055E+00
0.161963501408E+00 0.166675429109E+00 0.171513216966E+00 0.176479514850E+00 0.181576980773E+00
0.186808277349E+00 0.192176067521E+00 0.197683010140E+00 0.203331755211E+00 0.209124938444E+00
0.215065176077E+00 0.221155058470E+00 0.227397144013E+00 0.233793951962E+00 0.240347955506E+00
0.247061573443E+00 0.253937162213E+00 0.260977006986E+00 0.268183312042E+00 0.275558191029E+00
0.283103656298E+00 0.290821607553E+00 0.298713820386E+00 0.306781933498E+00 0.315027435637E+00
0.323451651936E+00 0.332055729185E+00 0.340840620821E+00 0.349807070743E+00 0.358955596902E+00
0.368286473661E+00 0.377799713787E+00 0.387495049476E+00 0.397371912762E+00 0.407429415080E+00
0.417666326327E+00 0.428081052860E+00 0.438671615195E+00 0.449435624879E+00 0.460370260569E+00
0.471472243884E+00 0.482737814816E+00 0.494162705515E+00 0.505742115924E+00 0.517470686530E+00
0.529342473001E+00 0.541350918903E+00 0.553488830424E+00 0.565748349051E+00 0.578120925768E+00
0.590597296001E+00 0.603167452957E+00 0.615820624933E+00 0.628545250357E+00 0.641328956406E+00
0.654158536652E+00 0.667019933024E+00 0.679898216491E+00 0.692777572575E+00 0.705641287323E+00
0.718471736808E+00 0.731250379454E+00 0.743957750865E+00 0.756573463830E+00 0.769076210373E+00
0.781443768947E+00 0.793653016795E+00 0.805679945611E+00 0.817499683877E+00 0.829086524254E+00
0.840413957026E+00 0.851454708954E+00 0.862180790299E+00 0.872563546945E+00 0.882573721409E+00
0.892181519094E+00 0.901356683888E+00 0.910068580871E+00 0.918286286730E+00 0.925978688500E+00
0.933114590020E+00 0.939662826945E+00 0.945592389127E+00 0.950872551925E+00 0.955473014163E+00
0.959364044237E+00 0.962516633930E+00 0.964902658425E+00 0.966495042899E+00 0.967267935838E+00
0.967196886985E+00 0.966259031101E+00 0.964433274187E+00 0.961700484870E+00 0.958043687182E+00
0.953448253882E+00 0.947902101021E+00 0.941395881254E+00 0.933923173003E+00 0.925480666844E+00
0.916068344042E+00 0.905689647106E+00 0.894351638945E+00
pseudo wavefunction
0.751002279840E-04 0.774469220727E-04 0.798669444758E-04 0.823625865196E-04 0.849362111285E-04
0.875902550623E-04 0.903272312236E-04 0.931497310368E-04 0.960604269020E-04 0.990620747247E-04
0.102157516526E-03 0.105349683133E-03 0.108641596953E-03 0.112036374837E-03 0.115537231030E-03
0.119147480213E-03 0.122870540642E-03 0.126709937387E-03 0.130669305667E-03 0.134752394291E-03
0.138963069210E-03 0.143305317176E-03 0.147783249518E-03 0.152401106033E-03 0.157163258999E-03
0.162074217320E-03 0.167138630791E-03 0.172361294501E-03 0.177747153372E-03 0.183301306845E-03
0.189029013705E-03 0.194935697061E-03 0.201026949478E-03 0.207308538278E-03 0.213786410996E-03
0.220466701012E-03 0.227355733361E-03 0.234460030715E-03 0.241786319568E-03 0.249341536597E-03
0.257132835234E-03 0.265167592437E-03 0.273453415676E-03 0.281998150135E-03 0.290809886141E-03
0.299896966822E-03 0.309267996009E-03 0.318931846380E-03 0.328897667862E-03 0.339174896296E-03
0.349773262367E-03 0.360702800820E-03 0.371973859962E-03 0.383597111455E-03 0.395583560427E-03
0.407944555887E-03 0.420691801471E-03 0.433837366526E-03 0.447393697535E-03 0.461373629900E-03
0.475790400100E-03 0.490657658218E-03 0.505989480868E-03 0.521800384524E-03 0.538105339260E-03
0.554919782928E-03 0.572259635776E-03 0.590141315516E-03 0.608581752872E-03 0.627598407611E-03
0.647209285072E-03 0.667432953216E-03 0.688288560204E-03 0.709795852528E-03 0.731975193707E-03
0.754847583568E-03 0.778434678127E-03 0.802758810097E-03 0.827843010027E-03 0.853711028113E-03
0.880387356683E-03 0.907897253384E-03 0.936266765101E-03 0.965522752614E-03 0.995692916031E-03
0.102680582102E-02 0.105889092584E-02 0.109197860925E-02 0.112610019927E-02 0.116128800282E-02
0.119757533634E-02 0.123499655731E-02 0.127358709678E-02 0.131338349295E-02 0.135442342572E-02
0.139674575237E-02 0.144039054439E-02 0.148539912538E-02 0.153181411017E-02 0.157967944521E-02
0.162904045013E-02 0.167994386068E-02 0.173243787297E-02 0.178657218908E-02 0.184239806415E-02
0.189996835488E-02 0.195933756958E-02 0.202056191980E-02 0.208369937350E-02 0.214880970997E-02
0.221595457643E-02 0.228519754635E-02 0.235660417968E-02 0.243024208490E-02 0.250618098303E-02
0.258449277364E-02 0.266525160291E-02 0.274853393383E-02 0.283441861857E-02 0.292298697317E-02
0.301432285448E-02 0.310851273955E-02 0.320564580753E-02 0.330581402403E-02 0.340911222824E-02
0.351563822268E-02 0.362549286577E-02 0.373878016732E-02 0.385560738699E-02 0.397608513580E-02
0.410032748085E-02 0.422845205327E-02 0.436058015957E-02 0.449683689648E-02 0.463735126931E-02
0.478225631408E-02 0.493168922342E-02 0.508579147641E-02 0.524470897250E-02 0.540859216955E-02
0.557759622622E-02 0.575188114883E-02 0.593161194273E-02 0.611695876847E-02 0.630809710279E-02
0.650520790464E-02 0.670847778642E-02 0.691809919048E-02 0.713427057126E-02 0.735719658295E-02
0.758708827309E-02 0.782416328225E-02 0.806864604981E-02 0.832076802627E-02 0.858076789211E-02
0.884889178350E-02 0.912539352502E-02 0.941053486964E-02 0.970458574621E-02 0.100078245146E-01
0.103205382286E-01 0.106430229078E-01 0.109755838165E-01 0.113185357528E-01 0.116722033456E-01
0.120369213616E-01 0.124130350211E-01 0.128009003242E-01 0.132008843868E-01 0.136133657874E-01
0.140387349240E-01 0.144773943829E-01 0.149297593181E-01 0.153962578431E-01 0.158773314347E-01
0.163734353489E-01 0.168850390499E-01 0.174126266528E-01 0.179566973792E-01 0.185177660276E-01
0.190963634574E-01 0.196930370889E-01 0.203083514178E-01 0.209428885461E-01 0.215972487287E-01
0.222720509377E-01 0.229679334428E-01 0.236855544106E-01 0.244255925217E-01 0.251887476061E-01
0.259757412995E-01 0.267873177176E-01 0.276242441526E-01 0.284873117896E-01 0.293773364458E-01
0.302951593306E-01 0.312416478303E-01 0.322176963148E-01 0.332242269695E-01 0.342621906517E-01
0.353325677728E-01 0.364363692060E-01 0.375746372220E-01 0.387484464515E-01 0.399589048760E-01
0.412071548482E-01 0.424943741416E-01 0.438217770308E-01 0.451906154027E-01 0.466021799005E-01
0.480578010988E-01 0.495588507139E-01 0.511067428465E-01 0.527029352602E-01 0.543489306952E-01
0.560462782185E-01 0.577965746098E-01 0.596014657865E-01 0.614626482651E-01 0.633818706629E-01
0.653609352370E-01 0.674016994648E-01 0.695060776627E-01 0.716760426471E-01 0.739136274343E-01
0.762209269825E-01 0.786000999743E-01 0.810533706401E-01 0.835830306224E-01 0.861914408808E-01
0.888810336368E-01 0.916543143582E-01 0.945138637823E-01 0.974623399766E-01 0.100502480436E+00
0.103637104214E+00 0.106869114090E+00 0.110201498761E+00 0.113637335069E+00 0.117179790247E+00
0.120832124194E+00 0.124597691759E+00 0.128479945046E+00 0.132482435721E+00 0.136608817329E+00
0.140862847598E+00 0.145248390737E+00 0.149769419713E+00 0.154430018495E+00 0.159234384268E+00
0.164186829582E+00 0.169291784445E+00 0.174553798341E+00 0.179977542142E+00 0.185567809913E+00
0.191329520589E+00 0.197267719491E+00 0.203387579665E+00 0.209694403017E+00 0.216193621216E+00
0.222890796323E+00 0.229791621126E+00 0.236901919126E+00 0.244227644144E+00 0.251774879488E+00
0.259549836648E+00 0.267558853436E+00 0.275808391535E+00 0.284305033365E+00 0.293055478216E+00
0.302066537544E+00 0.311345129353E+00 0.320898271570E+00 0.330733074297E+00 0.340856730834E+00
0.351276507342E+00 0.361999731024E+00 0.373033776658E+00 0.384386051345E+00 0.396063977286E+00
0.408074972409E+00 0.420426428650E+00 0.433125687674E+00 0.446180013796E+00 0.459596563876E+00
0.473382353906E+00 0.487544222024E+00 0.502088787645E+00 0.517022406403E+00 0.532351120562E+00
0.548080604554E+00 0.564216105259E+00 0.580762376663E+00 0.597723608473E+00 0.615103348293E+00
0.632904416927E+00 0.651128816381E+00 0.669777630136E+00 0.688850915254E+00 0.708347585907E+00
0.728265287917E+00 0.748600263931E+00 0.769347208906E+00 0.790499115597E+00 0.812047109854E+00
0.833980275581E+00 0.856285469339E+00 0.878947124699E+00 0.901947046622E+00 0.925264196314E+00
0.948874467257E+00 0.972750453348E+00 0.996861210430E+00 0.102117201281E+01 0.104564410679E+01
0.107023446371E+01 0.109489553541E+01 0.111957501580E+01 0.114421561257E+01 0.116875483398E+01
0.119312479622E+01 0.121725205764E+01 0.124105748696E+01 0.126445617314E+01 0.128735738551E+01
0.130966459320E+01 0.133127555356E+01 0.135208247936E+01 0.137197229487E+01 0.139082699014E+01
0.140852408242E+01 0.142493719179E+01 0.143993673606E+01 0.145339074673E+01 0.146516580336E+01
0.147512807827E+01 0.148314447612E+01 0.148908384397E+01 0.149281821698E+01 0.149422405190E+01
0.149318338614E+01 0.148958484370E+01 0.148332439172E+01 0.147430573249E+01 0.146244019801E+01
0.144764599698E+01 0.142984665161E+01 0.140896845461E+01 0.138493678002E+01 0.135767109845E+01
0.132707858311E+01 0.129304625414E+01 0.125543191107E+01 0.121408357465E+01 0.116888602410E+01
0.111973616312E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
ae wavefunction
0.106329947500E-03 0.109652313188E-03 0.113078486510E-03 0.116611710791E-03 0.120255330686E-03
0.124012795332E-03 0.127887661631E-03 0.131883597587E-03 0.136004385802E-03 0.140253927030E-03
0.144636243903E-03 0.149155484700E-03 0.153815927290E-03 0.158621983181E-03 0.163578201685E-03
0.168689274223E-03 0.173960038778E-03 0.179395484445E-03 0.185000756165E-03 0.190781159604E-03
0.196742166158E-03 0.202889418110E-03 0.209228734014E-03 0.215766114143E-03 0.222507746208E-03
0.229460011185E-03 0.236629489376E-03 0.244022966583E-03 0.251647440593E-03 0.259510127694E-03
0.267618469674E-03 0.275980140614E-03 0.284603054385E-03 0.293495371948E-03 0.302665509160E-03
0.312122144766E-03 0.321874228460E-03 0.331930989520E-03 0.342301945386E-03 0.352996910739E-03
0.364026006781E-03 0.375399670728E-03 0.387128665760E-03 0.399224091134E-03 0.411697392668E-03
0.424560373645E-03 0.437825205839E-03 0.451504441095E-03 0.465611023160E-03 0.480158299943E-03
0.495160036056E-03 0.510630425867E-03 0.526584106915E-03 0.543036173691E-03 0.560002191923E-03
0.577498213244E-03 0.595540790388E-03 0.614146992779E-03 0.633334422655E-03 0.653121231710E-03
0.673526138165E-03 0.694568444495E-03 0.716268055597E-03 0.738645497594E-03 0.761721937202E-03
0.785519201673E-03 0.810059799435E-03 0.835366941162E-03 0.861464561933E-03 0.888377343555E-03
0.916130737944E-03 0.944750991103E-03 0.974265167758E-03 0.100470117708E-02 0.103608779874E-02
0.106845471019E-02 0.110183251453E-02 0.113625276931E-02 0.117174801640E-02 0.120835181238E-02
0.124609876033E-02 0.128502454229E-02 0.132516595285E-02 0.136656093379E-02 0.140924860975E-02
0.145326932500E-02 0.149866468137E-02 0.154547757740E-02 0.159375224860E-02 0.164353430903E-02
0.169487079409E-02 0.174781020479E-02 0.180240255321E-02 0.185869940942E-02 0.191675394991E-02
0.197662100745E-02 0.203835712251E-02 0.210202059627E-02 0.216767154524E-02 0.223537195755E-02
0.230518575110E-02 0.237717883329E-02 0.245141916276E-02 0.252797681294E-02 0.260692403765E-02
0.268833533852E-02 0.277228753467E-02 0.285885983447E-02 0.294813390958E-02 0.304019397094E-02
0.313512684756E-02 0.323302206731E-02 0.333397194044E-02 0.343807164552E-02 0.354541931811E-02
0.365611614200E-02 0.377026644333E-02 0.388797778758E-02 0.400936107948E-02 0.413453066590E-02
0.426360444206E-02 0.439670396072E-02 0.453395454487E-02 0.467548540375E-02 0.482142975239E-02
0.497192493481E-02 0.512711255086E-02 0.528713858700E-02 0.545215355089E-02 0.562231261015E-02
0.579777573527E-02 0.597870784672E-02 0.616527896665E-02 0.635766437489E-02 0.655604476990E-02
0.676060643429E-02 0.697154140542E-02 0.718904765102E-02 0.741332925006E-02 0.764459657897E-02
0.788306650339E-02 0.812896257563E-02 0.838251523781E-02 0.864396203124E-02 0.891354781178E-02
0.919152497151E-02 0.947815366701E-02 0.977370205421E-02 0.100784465302E-01 0.103926719819E-01
0.107166720421E-01 0.110507493531E-01 0.113952158372E-01 0.117503929761E-01 0.121166120974E-01
0.124942146696E-01 0.128835526058E-01 0.132849885758E-01 0.136988963267E-01 0.141256610131E-01
0.145656795368E-01 0.150193608951E-01 0.154871265395E-01 0.159694107445E-01 0.164666609863E-01
0.169793383318E-01 0.175079178389E-01 0.180528889670E-01 0.186147559995E-01 0.191940384769E-01
0.197912716418E-01 0.204070068966E-01 0.210418122722E-01 0.216962729098E-01 0.223709915551E-01
0.230665890657E-01 0.237837049314E-01 0.245229978077E-01 0.252851460634E-01 0.260708483418E-01
0.268808241360E-01 0.277158143787E-01 0.285765820459E-01 0.294639127764E-01 0.303786155052E-01
0.313215231129E-01 0.322934930901E-01 0.332954082164E-01 0.343281772570E-01 0.353927356733E-01
0.364900463502E-01 0.376211003396E-01 0.387869176192E-01 0.399885478684E-01 0.412270712593E-01
0.425035992665E-01 0.438192754875E-01 0.451752764868E-01 0.465728126490E-01 0.480131290551E-01
0.494975063637E-01 0.510272617206E-01 0.526037496734E-01 0.542283631063E-01 0.559025341896E-01
0.576277353405E-01 0.594054801961E-01 0.612373246050E-01 0.631248676312E-01 0.650697525521E-01
0.670736679094E-01 0.691383485053E-01 0.712655764789E-01 0.734571823289E-01 0.757150459909E-01
0.780410978707E-01 0.804373199360E-01 0.829057467582E-01 0.854484665921E-01 0.880676224407E-01
0.907654130862E-01 0.935440941668E-01 0.964059792156E-01 0.993534406698E-01 0.102388910916E+00
0.105514883229E+00 0.108733912823E+00 0.112048617698E+00 0.115461679656E+00 0.118975845096E+00
0.122593925921E+00 0.126318800236E+00 0.130153413230E+00 0.134100777712E+00 0.138163974850E+00
0.142346154683E+00 0.146650536527E+00 0.151080409452E+00 0.155639132627E+00 0.160330135323E+00
0.165156917123E+00 0.170123047900E+00 0.175232167565E+00 0.180487985756E+00 0.185894281437E+00
0.191454902021E+00 0.197173762826E+00 0.203054845825E+00 0.209102198465E+00 0.215319932166E+00
0.221712220537E+00 0.228283297465E+00 0.235037454673E+00 0.241979039227E+00 0.249112450514E+00
0.256442136998E+00 0.263972592385E+00 0.271708351825E+00 0.279653986935E+00 0.287814101360E+00
0.296193324533E+00 0.304796306584E+00 0.313627710758E+00 0.322692207130E+00 0.331994464016E+00
0.341539139991E+00 0.351330874403E+00 0.361374277475E+00 0.371673919653E+00 0.382234319480E+00
0.393059931809E+00 0.404155133537E+00 0.415524209705E+00 0.427171337395E+00 0.439100569784E+00
0.451315817376E+00 0.463820829574E+00 0.476619174200E+00 0.489714215357E+00 0.503109090678E+00
0.516806686480E+00 0.530809611196E+00 0.545120168129E+00 0.559740325255E+00 0.574671683966E+00
0.589915446086E+00 0.605472378290E+00 0.621342775296E+00 0.637526420157E+00 0.654022543319E+00
0.670829778555E+00 0.687946117289E+00 0.705368860153E+00 0.723094566336E+00 0.741119000235E+00
0.759437075969E+00 0.778042798638E+00 0.796929203636E+00 0.816088292970E+00 0.835510968560E+00
0.855186963442E+00 0.875104770396E+00 0.895251565733E+00 0.915613134465E+00 0.936173788144E+00
0.956916283932E+00 0.977821737871E+00 0.998869539391E+00 0.102003725958E+01 0.104130055961E+01
0.106263309773E+01 0.108400643066E+01 0.110538991914E+01 0.112675062646E+01 0.114805322047E+01
0.116925987066E+01 0.119033014998E+01 0.121122093124E+01 0.123188628907E+01 0.125227739974E+01
0.127234244432E+01 0.129202651415E+01 0.131127151808E+01 0.133001609671E+01 0.134819553807E+01
0.136574170088E+01 0.138258294566E+01 0.139864407108E+01 0.141384626207E+01 0.142810704760E+01
0.144134027076E+01 0.145345607108E+01 0.146436088503E+01 0.147395746070E+01 0.148214489478E+01
0.148881868737E+01 0.149387082350E+01 0.149718987981E+01 0.149866115989E+01 0.149816686218E+01
0.149558628224E+01 0.149079605449E+01 0.148367043500E+01 0.147408163206E+01 0.146190018542E+01
0.144699540142E+01 0.142923584870E+01 0.140848991784E+01 0.138462645170E+01 0.135751545337E+01
0.132702887546E+01 0.129304149987E+01 0.125543191107E+01 0.121408357465E+01 0.116888602410E+01
0.111973616312E+01 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
0.000000000000E+00 0.000000000000E+00 0.000000000000E+00
pseudo wavefunction
0.118327813132E-08 0.125838244909E-08 0.133825374294E-08 0.142319457951E-08 0.151352672977E-08
0.160959238792E-08 0.171175546774E-08 0.182040298110E-08 0.193594650407E-08 0.205882373603E-08
0.218950015773E-08 0.232847079466E-08 0.247626209225E-08 0.263343391018E-08 0.280058164318E-08
0.297833847653E-08 0.316737778468E-08 0.336841568206E-08 0.358221373592E-08 0.380958185123E-08
0.405138133876E-08 0.430852817789E-08 0.458199648649E-08 0.487282221103E-08 0.518210705099E-08
0.551102263223E-08 0.586081494534E-08 0.623280906568E-08 0.662841417300E-08 0.704912888965E-08
0.749654695765E-08 0.797236327603E-08 0.847838032146E-08 0.901651497629E-08 0.958880579009E-08
0.101974207020E-07 0.108446652534E-07 0.115329913214E-07 0.122650064073E-07 0.130434835141E-07
0.138713716514E-07 0.147518070061E-07 0.156881248237E-07 0.166838720422E-07 0.177428207287E-07
0.188689823687E-07 0.200666230623E-07 0.213402796849E-07 0.226947770737E-07 0.241352463052E-07
0.256671441322E-07 0.272962736555E-07 0.290288063066E-07 0.308713052266E-07 0.328307501280E-07
0.349145637357E-07 0.371306399052E-07 0.394873735258E-07 0.419936923225E-07 0.446590906752E-07
0.474936655853E-07 0.505081549252E-07 0.537139781147E-07 0.571232793803E-07 0.607489737593E-07
0.646047960246E-07 0.687053527141E-07 0.730661774629E-07 0.777037898478E-07 0.826357579658E-07
0.878807649855E-07 0.934586799223E-07 0.993906329055E-07 0.105699095223E-06 0.112407964446E-06
0.119542654959E-06 0.127130194232E-06 0.135199325205E-06 0.143780615174E-06 0.152906571581E-06
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End of Dataset