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quantum-espresso/XSpectra/examples/pseudo/C_PBE_TM_2pj.UPF

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<PP_INFO>
Generated using "atomic" code by A. Dal Corso (espresso distribution)
Author: anonymous Generation date: 3Apr2008
C
1 The Pseudo was generated with a Scalar-Relativistic Calculation
1 1.5000000E+00 L component and cutoff radius for Local Potential
nl pn l occ Rcut Rcut US E pseu
2S 1 0 2.00 1.50000000000 1.50000000000 -1.42411877197
2P 2 1 1.50 1.50000000000 1.50000000000 -0.78795211864
</PP_INFO>
<PP_HEADER>
0 Version Number
C Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA PW PBX PBC PBE Exchange-Correlation functional
4.00000000000 Z valence
-10.44139757378 Total energy
0.000 0.000 Suggested cutoff for wfc and rho
1 Max angular momentum component
1073 Number of points in mesh
4 1 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
2S 0 2.00
3S 0 0.00
2P 1 1.50
3P 1 0.00
</PP_HEADER>
<PP_MESH>
<PP_R>
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-1.29476313777E+00 -1.31109098429E+00 -1.32762399509E+00 -1.34436462818E+00
-1.36131536064E+00 -1.37847868797E+00 -1.39585712332E+00 -1.41345319673E+00
-1.43126945424E+00 -1.44930845691E+00 -1.46757277978E+00 -1.48606501072E+00
-1.50478774916E+00 -1.52374360475E+00 -1.54293519585E+00 -1.56236514793E+00
-1.58203609187E+00 -1.60195066202E+00 -1.62211149419E+00 -1.64252122348E+00
-1.66318248191E+00 -1.68409789582E+00 -1.70527008323E+00 -1.72670165080E+00
-1.74839519075E+00 -1.77035327740E+00 -1.79257846357E+00 -1.81507327666E+00
-1.83784021449E+00 -1.86088174082E+00 -1.88420028053E+00 -1.90779821457E+00
-1.93167787443E+00 -1.95584153633E+00 -1.98029141499E+00 -2.00502965694E+00
-2.03005833348E+00 -2.05537943307E+00 -2.08099485331E+00 -2.10690639232E+00
-2.13311573964E+00 -2.15962446648E+00 -2.18643401542E+00 -2.21354568937E+00
-2.24096063993E+00 -2.26867985497E+00 -2.29670414546E+00 -2.32503413147E+00
-2.35367022736E+00 -2.38261262603E+00 -2.41186128229E+00 -2.44141589511E+00
-2.47127588899E+00 -2.50144039410E+00 -2.53190822533E+00 -2.56267786014E+00
-2.59374741505E+00 -2.62511462095E+00 -2.65677679687E+00 -2.68873082237E+00
-2.72097310838E+00 -2.75349956645E+00 -2.78630557635E+00 -2.81938595188E+00
-2.85273490492E+00 -2.88634600759E+00 -2.92021215242E+00 -2.95432551048E+00
-2.98867748746E+00 -3.02325867749E+00 -3.05805881472E+00 -3.09306672257E+00
-3.12827026055E+00 -3.16365626863E+00 -3.19921050904E+00 -3.23491760544E+00
-3.27076097943E+00 -3.30672278442E+00 -3.34278383654E+00 -3.37892354299E+00
-3.41511982734E+00 -3.45134905210E+00 -3.48758593846E+00 -3.52380348310E+00
-3.55997287227E+00 -3.59606339311E+00 -3.63204234225E+00 -3.66787493189E+00
-3.70352419339E+00 -3.73895087856E+00 -3.77411335892E+00 -3.80896752301E+00
-3.84346667224E+00 -3.87756141537E+00 -3.91119956225E+00 -3.94432601708E+00
-3.97688267180E+00 -4.00880830018E+00 -4.04003845322E+00 -4.07050535674E+00
-4.10013781183E+00 -4.12886109931E+00 -4.15659688909E+00 -4.18326315569E+00
-4.20877410127E+00 -4.23304008756E+00 -4.25596757828E+00 -4.27745909387E+00
-4.29741318043E+00 -4.31572439497E+00 -4.33228330923E+00 -4.34697653464E+00
-4.35968677106E+00 -4.37029288216E+00 -4.37867000069E+00 -4.38468966682E+00
-4.38822000323E+00 -4.38912593069E+00 -4.38726942815E+00 -4.38250984140E+00
-4.37470424503E+00 -4.36370786182E+00 -4.34937454468E+00 -4.33155732572E+00
-4.31010903750E+00 -4.28488301130E+00 -4.25573385744E+00 -4.22251833229E+00
-4.18509629667E+00 -4.14333176993E+00 -4.09709408349E+00 -4.04625913732E+00
-3.99071076178E+00 -3.93034218673E+00 -3.86505761842E+00 -3.79477392363E+00
-3.71942241876E+00 -3.63895076004E+00 -3.55332492876E+00 -3.46253130309E+00
-3.36657880550E+00 -3.26550111175E+00 -3.15935890393E+00 -3.04824214664E+00
-2.93227236138E+00 -2.81160486969E+00 -2.68643097148E+00 -2.55698001992E+00
-2.42352134945E+00 -2.28636600853E+00 -2.14586824377E+00 -2.00242667712E+00
-1.85648511355E+00 -1.70853291236E+00 -1.55910485180E+00 -1.40878041450E+00
-1.25818241922E+00 -1.10797492505E+00 -9.58860335045E-01 -8.11575630586E-01
-6.66887672767E-01 -5.25587515939E-01 -3.88483689159E-01 -2.56394415443E-01
-1.30138755809E-01 -1.05266855759E-02 1.01651865819E-01 2.05638953011E-01
3.00721441985E-01 3.86244603973E-01 4.61626317080E-01 5.26371677883E-01
5.80087784175E-01 6.22498407223E-01 6.53458227727E-01 6.72966264342E-01
6.81178077285E-01 6.78416282102E-01 6.65178859656E-01 6.42144696979E-01
6.10175738539E-01 5.70315066772E-01 5.23780162068E-01 4.71950512725E-01
4.16348651246E-01 3.58613580944E-01 3.00465422247E-01 2.43659947884E-01
1.89931487564E-01 1.40922464713E-01 9.80975814573E-02 6.26403974163E-02
3.53297608894E-02 1.63932589923E-02 5.33457041256E-03 7.31344451872E-04
-4.63598847201E-14 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
1.50 1.50
2S
</PP_BETA>
<PP_DIJ>
1 Number of nonzero Dij
1 1 1.06488053237E+00
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
2S 0 2.00 Wavefunction
1.17461068605E-04 1.18938546978E-04 1.20434609742E-04 1.21949490660E-04
1.23483426434E-04 1.25036656746E-04 1.26609424290E-04 1.28201974816E-04
1.29814557162E-04 1.31447423297E-04 1.33100828361E-04 1.34775030701E-04
1.36470291914E-04 1.38186876890E-04 1.39925053847E-04 1.41685094380E-04
1.43467273498E-04 1.45271869671E-04 1.47099164870E-04 1.48949444615E-04
1.50822998014E-04 1.52720117816E-04 1.54641100448E-04 1.56586246068E-04
1.58555858609E-04 1.60550245828E-04 1.62569719350E-04 1.64614594724E-04
1.66685191465E-04 1.68781833109E-04 1.70904847259E-04 1.73054565641E-04
1.75231324154E-04 1.77435462919E-04 1.79667326340E-04 1.81927263147E-04
1.84215626463E-04 1.86532773847E-04 1.88879067360E-04 1.91254873614E-04
1.93660563834E-04 1.96096513914E-04 1.98563104477E-04 2.01060720932E-04
2.03589753537E-04 2.06150597459E-04 2.08743652835E-04 2.11369324835E-04
2.14028023726E-04 2.16720164935E-04 2.19446169116E-04 2.22206462211E-04
2.25001475522E-04 2.27831645777E-04 2.30697415195E-04 2.33599231559E-04
2.36537548283E-04 2.39512824486E-04 2.42525525060E-04 2.45576120748E-04
2.48665088210E-04 2.51792910105E-04 2.54960075161E-04 2.58167078254E-04
2.61414420486E-04 2.64702609260E-04 2.68032158363E-04 2.71403588045E-04
2.74817425097E-04 2.78274202941E-04 2.81774461703E-04 2.85318748308E-04
2.88907616558E-04 2.92541627221E-04 2.96221348119E-04 2.99947354216E-04
3.03720227708E-04 3.07540558116E-04 3.11408942374E-04 3.15325984926E-04
3.19292297817E-04 3.23308500794E-04 3.27375221395E-04 3.31493095056E-04
3.35662765203E-04 3.39884883355E-04 3.44160109229E-04 3.48489110837E-04
3.52872564595E-04 3.57311155428E-04 3.61805576876E-04 3.66356531200E-04
3.70964729499E-04 3.75630891813E-04 3.80355747240E-04 3.85140034050E-04
3.89984499798E-04 3.94889901442E-04 3.99857005463E-04 4.04886587981E-04
4.09979434880E-04 4.15136341929E-04 4.20358114907E-04 4.25645569726E-04
4.30999532564E-04 4.36420839989E-04 4.41910339094E-04 4.47468887624E-04
4.53097354116E-04 4.58796618031E-04 4.64567569892E-04 4.70411111422E-04
4.76328155690E-04 4.82319627247E-04 4.88386462274E-04 4.94529608728E-04
5.00750026491E-04 5.07048687517E-04 5.13426575986E-04 5.19884688460E-04
5.26424034034E-04 5.33045634495E-04 5.39750524485E-04 5.46539751658E-04
5.53414376848E-04 5.60375474232E-04 5.67424131499E-04 5.74561450016E-04
5.81788545010E-04 5.89106545730E-04 5.96516595632E-04 6.04019852556E-04
6.11617488903E-04 6.19310691823E-04 6.27100663399E-04 6.34988620833E-04
6.42975796639E-04 6.51063438833E-04 6.59252811131E-04 6.67545193142E-04
6.75941880572E-04 6.84444185427E-04 6.93053436213E-04 7.01770978149E-04
7.10598173373E-04 7.19536401159E-04 7.28587058128E-04 7.37751558470E-04
7.47031334163E-04 7.56427835198E-04 7.65942529803E-04 7.75576904675E-04
7.85332465213E-04 7.95210735751E-04 8.05213259796E-04 8.15341600270E-04
8.25597339757E-04 8.35982080744E-04 8.46497445878E-04 8.57145078216E-04
8.67926641481E-04 8.78843820325E-04 8.89898320590E-04 9.01091869574E-04
9.12426216304E-04 9.23903131807E-04 9.35524409386E-04 9.47291864902E-04
9.59207337056E-04 9.71272687680E-04 9.83489802024E-04 9.95860589050E-04
1.00838698174E-03 1.02107093737E-03 1.03391443786E-03 1.04691949006E-03
1.06008812603E-03 1.07342240344E-03 1.08692440580E-03 1.10059624285E-03
1.11444005086E-03 1.12845799298E-03 1.14265225957E-03 1.15702506852E-03
1.17157866564E-03 1.18631532500E-03 1.20123734923E-03 1.21634706998E-03
1.23164684819E-03 1.24713907451E-03 1.26282616967E-03 1.27871058483E-03
1.29479480200E-03 1.31108133441E-03 1.32757272689E-03 1.34427155630E-03
1.36118043190E-03 1.37830199577E-03 1.39563892323E-03 1.41319392326E-03
1.43096973890E-03 1.44896914771E-03 1.46719496217E-03 1.48565003016E-03
1.50433723538E-03 1.52325949778E-03 1.54241977406E-03 1.56182105812E-03
1.58146638150E-03 1.60135881388E-03 1.62150146356E-03 1.64189747794E-03
1.66255004401E-03 1.68346238884E-03 1.70463778009E-03 1.72607952656E-03
1.74779097863E-03 1.76977552884E-03 1.79203661241E-03 1.81457770777E-03
1.83740233711E-03 1.86051406691E-03 1.88391650852E-03 1.90761331875E-03
1.93160820035E-03 1.95590490270E-03 1.98050722232E-03 2.00541900349E-03
2.03064413886E-03 2.05618657003E-03 2.08205028820E-03 2.10823933475E-03
2.13475780194E-03 2.16160983347E-03 2.18879962519E-03 2.21633142572E-03
2.24420953713E-03 2.27243831559E-03 2.30102217211E-03 2.32996557316E-03
2.35927304139E-03 2.38894915635E-03 2.41899855523E-03 2.44942593351E-03
2.48023604576E-03 2.51143370636E-03 2.54302379026E-03 2.57501123372E-03
2.60740103511E-03 2.64019825568E-03 2.67340802035E-03 2.70703551850E-03
2.74108600481E-03 2.77556480005E-03 2.81047729195E-03 2.84582893598E-03
2.88162525627E-03 2.91787184645E-03 2.95457437050E-03 2.99173856366E-03
3.02937023333E-03 3.06747525996E-03 3.10605959800E-03 3.14512927678E-03
3.18469040151E-03 3.22474915418E-03 3.26531179459E-03 3.30638466127E-03
3.34797417249E-03 3.39008682729E-03 3.43272920645E-03 3.47590797356E-03
3.51962987604E-03 3.56390174621E-03 3.60873050233E-03 3.65412314971E-03
3.70008678181E-03 3.74662858132E-03 3.79375582131E-03 3.84147586635E-03
3.88979617367E-03 3.93872429433E-03 3.98826787440E-03 4.03843465614E-03
4.08923247924E-03 4.14066928202E-03 4.19275310268E-03 4.24549208057E-03
4.29889445745E-03 4.35296857878E-03 4.40772289502E-03 4.46316596298E-03
4.51930644713E-03 4.57615312095E-03 4.63371486836E-03 4.69200068502E-03
4.75101967981E-03 4.81078107624E-03 4.87129421387E-03 4.93256854979E-03
4.99461366010E-03 5.05743924140E-03 5.12105511233E-03 5.18547121507E-03
5.25069761693E-03 5.31674451191E-03 5.38362222231E-03 5.45134120031E-03
5.51991202966E-03 5.58934542730E-03 5.65965224503E-03 5.73084347125E-03
5.80293023266E-03 5.87592379597E-03 5.94983556973E-03 6.02467710607E-03
6.10046010251E-03 6.17719640383E-03 6.25489800387E-03 6.33357704746E-03
6.41324583230E-03 6.49391681088E-03 6.57560259245E-03 6.65831594499E-03
6.74206979719E-03 6.82687724053E-03 6.91275153125E-03 6.99970609252E-03
7.08775451647E-03 7.17691056636E-03 7.26718817874E-03 7.35860146561E-03
7.45116471667E-03 7.54489240150E-03 7.63979917192E-03 7.73589986420E-03
7.83320950144E-03 7.93174329593E-03 8.03151665149E-03 8.13254516595E-03
8.23484463354E-03 8.33843104743E-03 8.44332060218E-03 8.54952969631E-03
8.65707493491E-03 8.76597313219E-03 8.87624131413E-03 8.98789672122E-03
9.10095681108E-03 9.21543926126E-03 9.33136197200E-03 9.44874306905E-03
9.56760090651E-03 9.68795406973E-03 9.80982137823E-03 9.93322188864E-03
1.00581748977E-02 1.01846999454E-02 1.03128168179E-02 1.04425455506E-02
1.05739064317E-02 1.07069200048E-02 1.08416070725E-02 1.09779886999E-02
1.11160862171E-02 1.12559212237E-02 1.13975155910E-02 1.15408914666E-02
1.16860712770E-02 1.18330777315E-02 1.19819338259E-02 1.21326628459E-02
1.22852883709E-02 1.24398342776E-02 1.25963247440E-02 1.27547842531E-02
1.29152375965E-02 1.30777098788E-02 1.32422265213E-02 1.34088132660E-02
1.35774961798E-02 1.37483016585E-02 1.39212564311E-02 1.40963875639E-02
1.42737224649E-02 1.44532888881E-02 1.46351149379E-02 1.48192290735E-02
1.50056601135E-02 1.51944372406E-02 1.53855900059E-02 1.55791483338E-02
1.57751425267E-02 1.59736032701E-02 1.61745616368E-02 1.63780490927E-02
1.65840975011E-02 1.67927391281E-02 1.70040066478E-02 1.72179331473E-02
1.74345521322E-02 1.76538975317E-02 1.78760037042E-02 1.81009054427E-02
1.83286379804E-02 1.85592369965E-02 1.87927386215E-02 1.90291794433E-02
1.92685965130E-02 1.95110273508E-02 1.97565099521E-02 2.00050827936E-02
2.02567848391E-02 2.05116555466E-02 2.07697348736E-02 2.10310632844E-02
2.12956817562E-02 2.15636317857E-02 2.18349553961E-02 2.21096951433E-02
2.23878941236E-02 2.26695959797E-02 2.29548449088E-02 2.32436856688E-02
2.35361635862E-02 2.38323245632E-02 2.41322150853E-02 2.44358822286E-02
2.47433736677E-02 2.50547376835E-02 2.53700231707E-02 2.56892796462E-02
2.60125572572E-02 2.63399067890E-02 2.66713796736E-02 2.70070279983E-02
2.73469045138E-02 2.76910626432E-02 2.80395564909E-02 2.83924408510E-02
2.87497712169E-02 2.91116037903E-02 2.94779954903E-02 2.98490039630E-02
3.02246875910E-02 3.06051055033E-02 3.09903175848E-02 3.13803844866E-02
3.17753676360E-02 3.21753292466E-02 3.25803323291E-02 3.29904407014E-02
3.34057189998E-02 3.38262326897E-02 3.42520480763E-02 3.46832323163E-02
3.51198534293E-02 3.55619803086E-02 3.60096827338E-02 3.64630313823E-02
3.69220978411E-02 3.73869546196E-02 3.78576751616E-02 3.83343338580E-02
3.88170060598E-02 3.93057680908E-02 3.98006972610E-02 4.03018718800E-02
4.08093712706E-02 4.13232757824E-02 4.18436668063E-02 4.23706267882E-02
4.29042392440E-02 4.34445887738E-02 4.39917610773E-02 4.45458429688E-02
4.51069223924E-02 4.56750884381E-02 4.62504313572E-02 4.68330425789E-02
4.74230147268E-02 4.80204416350E-02 4.86254183659E-02 4.92380412267E-02
4.98584077875E-02 5.04866168989E-02 5.11227687102E-02 5.17669646878E-02
5.24193076341E-02 5.30799017064E-02 5.37488524364E-02 5.44262667499E-02
5.51122529870E-02 5.58069209224E-02 5.65103817862E-02 5.72227482851E-02
5.79441346242E-02 5.86746565282E-02 5.94144312646E-02 6.01635776656E-02
6.09222161518E-02 6.16904687556E-02 6.24684591450E-02 6.32563126481E-02
6.40541562782E-02 6.48621187587E-02 6.56803305494E-02 6.65089238725E-02
6.73480327393E-02 6.81977929780E-02 6.90583422610E-02 6.99298201335E-02
7.08123680426E-02 7.17061293665E-02 7.26112494450E-02 7.35278756095E-02
7.44561572151E-02 7.53962456720E-02 7.63482944781E-02 7.73124592525E-02
7.82888977693E-02 7.92777699921E-02 8.02792381094E-02 8.12934665709E-02
8.23206221238E-02 8.33608738511E-02 8.44143932093E-02 8.54813540683E-02
8.65619327510E-02 8.76563080743E-02 8.87646613913E-02 8.98871766335E-02
9.10240403550E-02 9.21754417769E-02 9.33415728328E-02 9.45226282160E-02
9.57188054266E-02 9.69303048209E-02 9.81573296608E-02 9.94000861653E-02
1.00658783562E-01 1.01933634143E-01 1.03224853314E-01 1.04532659658E-01
1.05857274986E-01 1.07198924399E-01 1.08557836347E-01 1.09934242690E-01
1.11328378763E-01 1.12740483437E-01 1.14170799189E-01 1.15619572166E-01
1.17087052255E-01 1.18573493155E-01 1.20079152450E-01 1.21604291681E-01
1.23149176424E-01 1.24714076366E-01 1.26299265389E-01 1.27905021646E-01
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3S 0 0.00 Wavefunction
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-3.41206304447E-16
2P 1 1.50 Wavefunction
5.83977816897E-08 5.98761285255E-08 6.13918998873E-08 6.29460431814E-08
6.45395297976E-08 6.61733557169E-08 6.78485421334E-08 6.95661360928E-08
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8.71192517132E-08 8.93246859681E-08 9.15859510517E-08 9.39044603280E-08
9.62816629403E-08 9.87190447171E-08 1.01218129101E-07 1.03780478100E-07
1.06407693267E-07 1.09101416694E-07 1.11863332047E-07 1.14695165611E-07
1.17598687375E-07 1.20575712133E-07 1.23628100623E-07 1.26757760684E-07
1.29966648457E-07 1.33256769599E-07 1.36630180543E-07 1.40088989780E-07
1.43635359176E-07 1.47271505327E-07 1.50999700942E-07 1.54822276264E-07
1.58741620525E-07 1.62760183441E-07 1.66880476745E-07 1.71105075752E-07
1.75436620972E-07 1.79877819762E-07 1.84431448013E-07 1.89100351890E-07
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5.39572749365E-01 5.31878067821E-01 5.24111148444E-01 5.16277186636E-01
5.08381420206E-01 5.00429120672E-01 4.92425584332E-01 4.84376123161E-01
4.76286055603E-01 4.68160697290E-01 4.60005351780E-01 4.51825301369E-01
4.43625798050E-01 4.35412054683E-01 4.27189236451E-01 4.18962452667E-01
4.10736748985E-01 4.02517100088E-01 3.94308402889E-01 3.86115470296E-01
3.77943025577E-01 3.69795697341E-01 3.61678015176E-01 3.53594405919E-01
3.45549190585E-01 3.37546581924E-01 3.29590682596E-01 3.21685483924E-01
3.13834865195E-01 3.06042593452E-01 2.98312323737E-01 2.90647599704E-01
2.83051854565E-01 2.75528412273E-01 2.68080488894E-01 2.60711194083E-01
2.53423532596E-01 2.46220405776E-01 2.39104612932E-01 2.32078852567E-01
2.25145723386E-01 2.18307725046E-01 2.11567258592E-01 2.04926626572E-01
1.98388032780E-01 1.91953581641E-01 1.85625277216E-01 1.79405021849E-01
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1.49983703673E-01 1.44445745299E-01 1.39026127042E-01 1.33725855273E-01
1.28545811858E-01 1.23486751403E-01 1.18549298696E-01 1.13733946379E-01
1.09041052914E-01 1.04470840890E-01 1.00023395718E-01 9.56986647506E-02
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3.17295996325E-02 2.98319989424E-02 2.80227586423E-02 2.62994122410E-02
2.46594638346E-02 2.31003946362E-02 2.16196693847E-02 2.02147426074E-02
1.88830647126E-02 1.76220878920E-02 1.64292718125E-02 1.53020890813E-02
1.42380304686E-02 1.32346098746E-02 1.22893690295E-02 1.13998819179E-02
1.05637589193E-02 9.77865065907E-03 9.04225156641E-03 8.35230313705E-03
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5.52391696932E-03 5.06821641911E-03 4.64468720663E-03 4.25152978071E-03
3.88700806787E-03 3.54944996332E-03 3.23724758767E-03 2.94885732058E-03
2.68279962281E-03 2.43765865891E-03 2.21208173276E-03 2.00477854870E-03
1.81452031116E-03 1.64013867553E-03 1.48052456346E-03 1.33462685531E-03
1.20145097267E-03 1.08005736350E-03 9.69559902245E-04 8.69124217017E-04
7.77965955545E-04 6.95349001160E-04 6.20583649696E-04 5.53024757656E-04
4.92069871498E-04 4.37157347307E-04 3.87764469586E-04 3.43405577234E-04
3.03631034959E-04 2.68031971094E-04 2.36222360407E-04 2.07845360549E-04
1.82572532194E-04 1.60102109129E-04 1.40157324311E-04 1.22484794486E-04
1.06852965495E-04 9.30506199808E-05 8.08854487485E-05 7.01826866364E-05
6.07838133591E-05 5.25453194127E-05 4.53375367903E-05 3.90435339307E-05
3.35580740345E-05 2.87866356066E-05 2.46444938492E-05 2.10558613115E-05
1.79530860160E-05 1.52759051200E-05 1.29707520377E-05 1.09901148363E-05
9.29194363425E-06 7.83910466825E-06 6.59887865240E-06 5.54250103331E-06
4.64474174209E-06 3.88352205921E-06 3.23956623895E-06 2.69608558458E-06
2.23849272275E-06 1.85414389327E-06 1.53210714831E-06 1.26295443992E-06
1.03857566736E-06 8.52012852907E-07 6.97312717304E-07 5.69396031156E-07
4.63942227886E-07 3.77287874883E-07 3.06337713919E-07 2.48487099268E-07
2.01554783758E-07 1.63032421872E-07 1.31501636065E-07 1.05766747035E-07
8.48227346083E-08 6.78273176399E-08 5.40767007183E-08 4.29845736423E-08
3.40639862218E-08 2.69117557565E-08 2.11950974524E-08 1.66401989470E-08
1.30224889864E-08 1.01583771041E-08 7.89826590585E-09 6.12066029756E-09
4.72721876266E-09 3.63861066936E-09 2.79106065327E-09 2.13347647437E-09
1.62507049117E-09 1.23339713787E-09 9.32739644019E-10 7.02788811132E-10
5.27565067649E-10 3.94542369741E-10 2.93938903994E-10 2.18145077621E-10
1.61264045307E-10 1.18744105826E-10 8.70857865544E-11 6.36093936910E-11
4.62713076079E-11 3.35194071940E-11 2.41797688348E-11 1.73682535772E-11
1.24218131648E-11 8.84534995415E-12 6.27079042229E-12 4.42570585191E-12
3.10936171983E-12 2.17452063337E-12 1.51368055279E-12 1.04871590905E-12
7.23117050036E-13 4.96204087310E-13 3.38833705393E-13 2.30229311669E-13
1.55652191859E-13 1.04699116077E-13 7.00641934206E-14 4.66429934453E-14
3.08876853579E-14 2.03453002847E-14 1.33288720337E-14 8.68447652483E-15
5.62710309260E-15 3.62565709433E-15 2.32283563800E-15 1.47961598570E-15
9.37015601296E-16 5.89902176405E-16 3.69161362346E-16 2.29626938985E-16
1.41960221095E-16 8.72196208880E-17 5.32514528372E-17 3.23060663875E-17
1.94731961545E-17 1.16615338913E-17 6.93751132032E-18 4.09963479944E-18
2.40626512949E-18 1.40268956074E-18 8.12010991050E-19 4.66773841080E-19
2.66413909412E-19 1.50964248191E-19 8.49217042468E-20 4.74188186928E-20
2.62802656969E-20 1.44548906774E-20 7.88977179836E-21 4.27303700901E-21
2.29609012964E-21 1.22399099593E-21 6.47233423210E-22 3.39463380029E-22
1.76575121215E-22 9.10805040206E-23 4.65837924615E-23 2.36217115850E-23
1.18742995753E-23 5.91666776947E-24 2.92193624457E-24 1.43001264711E-24
6.93482043024E-25 3.33201346067E-25 1.58600232030E-25 7.47782254915E-26
3.49195657365E-26 1.61485034236E-26 7.39455861058E-27 3.35239245900E-27
1.50454608373E-27 6.68357620348E-28 2.93838784379E-28 1.27834909929E-28
5.50265869633E-29 2.34325922881E-29 9.87038097805E-30 4.11200603229E-30
1.69402375426E-30 6.90033370629E-31 2.77871297898E-31 1.10605737655E-31
4.35119534855E-32 1.69150098124E-32 6.49686220971E-33 2.46511368036E-33
9.23858540914E-34 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00
3P 1 0.00 Wavefunction
1.50430739561E-08 1.54238911739E-08 1.58143488248E-08 1.62146909575E-08
1.66251677989E-08 1.70460359102E-08 1.74775583477E-08 1.79200048269E-08
1.83736518912E-08 1.88387830847E-08 1.93156891295E-08 1.98046681073E-08
2.03060256457E-08 2.08200751096E-08 2.13471377965E-08 2.18875431375E-08
2.24416289037E-08 2.30097414164E-08 2.35922357644E-08 2.41894760256E-08
2.48018354944E-08 2.54296969153E-08 2.60734527220E-08 2.67335052827E-08
2.74102671516E-08 2.81041613268E-08 2.88156215146E-08 2.95450924005E-08
3.02930299274E-08 3.10599015806E-08 3.18461866794E-08 3.26523766776E-08
3.34789754699E-08 3.43264997072E-08 3.51954791196E-08 3.60864568473E-08
3.69999897799E-08 3.79366489052E-08 3.88970196653E-08 3.98817023228E-08
4.08913123363E-08 4.19264807444E-08 4.29878545608E-08 4.40760971783E-08
4.51918887836E-08 4.63359267824E-08 4.75089262353E-08 4.87116203046E-08
4.99447607128E-08 5.12091182124E-08 5.25054830675E-08 5.38346655476E-08
5.51974964347E-08 5.65948275418E-08 5.80275322456E-08 5.94965060326E-08
6.10026670586E-08 6.25469567224E-08 6.41303402548E-08 6.57538073210E-08
6.74183726400E-08 6.91250766185E-08 7.08749860011E-08 7.26691945371E-08
7.45088236642E-08 7.63950232094E-08 7.83289721078E-08 8.03118791392E-08
8.23449836837E-08 8.44295564965E-08 8.65669005022E-08 8.87583516088E-08
9.10052795431E-08 9.33090887066E-08 9.56712190534E-08 9.80931469899E-08
1.00576386298E-07 1.03122489082E-07 1.05733046735E-07 1.08409690941E-07
1.11154094685E-07 1.13967973308E-07 1.16853085572E-07 1.19811234764E-07
1.22844269821E-07 1.25954086485E-07 1.29142628491E-07 1.32411888776E-07
1.35763910733E-07 1.39200789480E-07 1.42724673174E-07 1.46337764354E-07
1.50042321316E-07 1.53840659522E-07 1.57735153055E-07 1.61728236093E-07
1.65822404440E-07 1.70020217078E-07 1.74324297771E-07 1.78737336704E-07
1.83262092163E-07 1.87901392262E-07 1.92658136707E-07 1.97535298611E-07
2.02535926351E-07 2.07663145475E-07 2.12920160654E-07 2.18310257683E-07
2.23836805539E-07 2.29503258486E-07 2.35313158231E-07 2.41270136139E-07
2.47377915504E-07 2.53640313876E-07 2.60061245443E-07 2.66644723486E-07
2.73394862877E-07 2.80315882659E-07 2.87412108680E-07 2.94687976296E-07
3.02148033144E-07 3.09796941984E-07 3.17639483615E-07 3.25680559862E-07
3.33925196637E-07 3.42378547086E-07 3.51045894806E-07 3.59932657146E-07
3.69044388597E-07 3.78386784261E-07 3.87965683413E-07 3.97787073146E-07
4.07857092119E-07 4.18182034387E-07 4.28768353344E-07 4.39622665746E-07
4.50751755854E-07 4.62162579674E-07 4.73862269299E-07 4.85858137373E-07
4.98157681658E-07 5.10768589722E-07 5.23698743741E-07 5.36956225430E-07
5.50549321089E-07 5.64486526789E-07 5.78776553673E-07 5.93428333409E-07
6.08451023767E-07 6.23854014346E-07 6.39646932441E-07 6.55839649061E-07
6.72442285096E-07 6.89465217646E-07 7.06919086508E-07 7.24814800818E-07
7.43163545880E-07 7.61976790148E-07 7.81266292401E-07 8.01044109086E-07
8.21322601857E-07 8.42114445303E-07 8.63432634863E-07 8.85290494955E-07
9.07701687302E-07 9.30680219467E-07 9.54240453613E-07 9.78397115476E-07
1.00316530357E-06 1.02856049862E-06 1.05459857326E-06 1.08129580189E-06
1.10866887094E-06 1.13673488923E-06 1.16551139867E-06 1.19501638527E-06
1.22526829032E-06 1.25628602194E-06 1.28808896694E-06 1.32069700286E-06
1.35413051044E-06 1.38841038637E-06 1.42355805630E-06 1.45959548828E-06
1.49654520646E-06 1.53443030518E-06 1.57327446341E-06 1.61310195953E-06
1.65393768651E-06 1.69580716748E-06 1.73873657167E-06 1.78275273077E-06
1.82788315569E-06 1.87415605377E-06 1.92160034639E-06 1.97024568706E-06
2.02012247994E-06 2.07126189888E-06 2.12369590682E-06 2.17745727586E-06
2.23257960768E-06 2.28909735456E-06 2.34704584092E-06 2.40646128537E-06
2.46738082338E-06 2.52984253046E-06 2.59388544596E-06 2.65954959748E-06
2.72687602589E-06 2.79590681093E-06 2.86668509759E-06 2.93925512300E-06
3.01366224410E-06 3.08995296600E-06 3.16817497103E-06 3.24837714855E-06
3.33060962546E-06 3.41492379760E-06 3.50137236178E-06 3.59000934880E-06
3.68089015716E-06 3.77407158768E-06 3.86961187902E-06 3.96757074407E-06
4.06800940723E-06 4.17099064274E-06 4.27657881382E-06 4.38483991298E-06
4.49584160318E-06 4.60965326016E-06 4.72634601578E-06 4.84599280248E-06
4.96866839881E-06 5.09444947623E-06 5.22341464696E-06 5.35564451312E-06
5.49122171710E-06 5.63023099322E-06 5.77275922062E-06 5.91889547762E-06
6.06873109732E-06 6.22235972469E-06 6.37987737512E-06 6.54138249434E-06
6.70697601998E-06 6.87676144466E-06 7.05084488059E-06 7.22933512592E-06
7.41234373271E-06 7.59998507661E-06 7.79237642834E-06 7.98963802695E-06
8.19189315496E-06 8.39926821535E-06 8.61189281058E-06 8.82989982352E-06
9.05342550048E-06 9.28260953638E-06 9.51759516192E-06 9.75852923317E-06
1.00055623233E-05 1.02588488164E-05 1.05185470045E-05 1.07848191859E-05
1.10578317667E-05 1.13377553648E-05 1.16247649168E-05 1.19190397865E-05
1.22207638778E-05 1.25301257490E-05 1.28473187309E-05 1.31725410472E-05
1.35059959387E-05 1.38478917903E-05 1.41984422606E-05 1.45578664158E-05
1.49263888667E-05 1.53042399083E-05 1.56916556645E-05 1.60888782346E-05
1.64961558456E-05 1.69137430062E-05 1.73419006663E-05 1.77808963801E-05
1.82310044726E-05 1.86925062114E-05 1.91656899822E-05 1.96508514689E-05
2.01482938381E-05 2.06583279285E-05 2.11812724452E-05 2.17174541581E-05
2.22672081068E-05 2.28308778088E-05 2.34088154747E-05 2.40013822279E-05
2.46089483299E-05 2.52318934115E-05 2.58706067099E-05 2.65254873116E-05
2.71969444016E-05 2.78853975184E-05 2.85912768167E-05 2.93150233349E-05
3.00570892712E-05 3.08179382652E-05 3.15980456877E-05 3.23978989372E-05
3.32179977439E-05 3.40588544817E-05 3.49209944879E-05 3.58049563910E-05
3.67112924468E-05 3.76405688827E-05 3.85933662513E-05 3.95702797924E-05
4.05719198044E-05 4.15989120248E-05 4.26518980208E-05 4.37315355892E-05
4.48384991669E-05 4.59734802511E-05 4.71371878312E-05 4.83303488303E-05
4.95537085586E-05 5.08080311785E-05 5.20941001805E-05 5.34127188720E-05
5.47647108779E-05 5.61509206542E-05 5.75722140140E-05 5.90294786676E-05
6.05236247754E-05 6.20555855151E-05 6.36263176633E-05 6.52368021917E-05
6.68880448781E-05 6.85810769330E-05 7.03169556423E-05 7.20967650251E-05
7.39216165098E-05 7.57926496255E-05 7.77110327118E-05 7.96779636466E-05
8.16946705913E-05 8.37624127559E-05 8.58824811823E-05 8.80561995482E-05
9.02849249909E-05 9.25700489513E-05 9.49129980403E-05 9.73152349257E-05
9.97782592424E-05 1.02303608525E-04 1.04892859165E-04 1.07547627387E-04
1.10269570261E-04 1.13060386724E-04 1.15921818643E-04 1.18855651892E-04
1.21863717466E-04 1.24947892617E-04 1.28110102018E-04 1.31352318963E-04
1.34676566588E-04 1.38084919129E-04 1.41579503210E-04 1.45162499162E-04
1.48836142376E-04 1.52602724693E-04 1.56464595820E-04 1.60424164792E-04
1.64483901465E-04 1.68646338046E-04 1.72914070661E-04 1.77289760970E-04
1.81776137809E-04 1.86375998884E-04 1.91092212504E-04 1.95927719355E-04
2.00885534322E-04 2.05968748352E-04 2.11180530372E-04 2.16524129241E-04
2.22002875766E-04 2.27620184758E-04 2.33379557143E-04 2.39284582124E-04
2.45338939399E-04 2.51546401433E-04 2.57910835787E-04 2.64436207505E-04
2.71126581556E-04 2.77986125347E-04 2.85019111287E-04 2.92229919423E-04
2.99623040137E-04 3.07203076911E-04 3.14974749159E-04 3.22942895136E-04
3.31112474909E-04 3.39488573408E-04 3.48076403551E-04 3.56881309449E-04
3.65908769682E-04 3.75164400665E-04 3.84653960094E-04 3.94383350474E-04
4.04358622738E-04 4.14585979952E-04 4.25071781116E-04 4.35822545051E-04
4.46844954389E-04 4.58145859654E-04 4.69732283451E-04 4.81611424751E-04
4.93790663284E-04 5.06277564039E-04 5.19079881873E-04 5.32205566237E-04
5.45662766009E-04 5.59459834452E-04 5.73605334292E-04 5.88108042916E-04
6.02976957700E-04 6.18221301464E-04 6.33850528058E-04 6.49874328090E-04
6.66302634783E-04 6.83145629984E-04 7.00413750307E-04 7.18117693434E-04
7.36268424560E-04 7.54877183000E-04 7.73955488949E-04 7.93515150402E-04
8.13568270254E-04 8.34127253548E-04 8.55204814915E-04 8.76813986179E-04
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1.09753658658E-03 1.12525420552E-03 1.15367008502E-03 1.18280172681E-03
1.21266706673E-03 1.24328448527E-03 1.27467281835E-03 1.30685136832E-03
1.33983991526E-03 1.37365872851E-03 1.40832857847E-03 1.44387074867E-03
1.48030704809E-03 1.51765982382E-03 1.55595197394E-03 1.59520696072E-03
1.63544882412E-03 1.67670219559E-03 1.71899231213E-03 1.76234503077E-03
1.80678684325E-03 1.85234489108E-03 1.89904698095E-03 1.94692160043E-03
1.99599793404E-03 2.04630587966E-03 2.09787606526E-03 2.15073986608E-03
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0.00000000000E+00
</PP_GIPAW_PS_ORBITAL>
</PP_GIPAW_ORBITALS>
</PP_GIPAW_RECONSTRUCTION_DATA>
</PP_PAW>
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