Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: H LDA 1s1 RRKJ3 US 0 The Pseudo was generated with a Non-Relativistic Calculation 1.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 1.10000000000 1.20000000000 0.00000000000 1S 1 0 0.00 1.10000000000 1.20000000000 0.00000000000 2P 2 1 0.00 1.10000000000 1.10000000000 0.00000000000 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 1.00000000000 Z valence -0.60281129472 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 1061 Number of points in mesh 1 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 2.47875217667E-03 2.50366405020E-03 2.52882629223E-03 2.55424141899E-03 2.57991197203E-03 2.60584051841E-03 2.63202965101E-03 2.65848198878E-03 2.68520017695E-03 2.71218688739E-03 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2.94321326106E+01 2.97194374580E+01 3.00093839672E+01 3.03019682411E+01 3.05972251663E+01 3.08951720881E+01 3.11958218646E+01 3.14991996554E+01 3.18053146096E+01 3.21141889265E+01 3.24258432853E+01 3.27402996705E+01 3.30575529552E+01 3.33776617374E+01 3.37006103828E+01 3.40264352946E+01 3.43551269070E+01 3.46867414807E+01 3.50212670888E+01 3.53587267456E+01 3.56991476579E+01 3.60425347017E+01 3.63889101148E+01 3.67382800440E+01 3.70906907220E+01 3.74461169207E+01 3.78046009885E+01 3.81661460678E+01 3.85307690728E+01 3.88984955774E+01 3.92693206422E+01 3.96432660495E+01 4.00203505547E+01 4.04005866091E+01 4.07839829720E+01 4.11705430637E+01 4.15602911424E+01 4.19532356984E+01 4.23493878600E+01 4.27487502178E+01 4.31513415205E+01 4.35571711187E+01 4.39662387032E+01 4.43785599889E+01 4.47941358360E+01 4.52129747800E+01 4.56350824241E+01 4.60604715436E+01 4.64891374931E+01 4.69210865264E+01 4.73563142950E+01 4.77948376826E+01 4.82366435934E+01 4.86817387624E+01 4.91301243851E+01 4.95817948748E+01 5.00367442863E+01 5.04949718260E+01 5.09564717335E+01 5.14212396998E+01 5.18892715918E+01 5.23605489184E+01 5.28350656683E+01 5.33128111156E+01 5.37937803003E+01 5.42779446531E+01 5.47653023106E+01 5.52558256843E+01 5.57495015973E+01 5.62463082908E+01 5.67462278480E+01 5.72492326521E+01 5.77552935760E+01 5.82643954954E+01 5.87764918844E+01 5.92915714202E+01 5.98095861672E+01 6.03305070462E+01 6.08542959208E+01 6.13809126591E+01 6.19103168658E+01 6.24424624418E+01 6.29773022820E+01 6.35147922173E+01 6.40548774846E+01 6.45975006504E+01 6.51426141468E+01 6.56901408452E+01 6.62400318819E+01 6.67922239458E+01 6.73466393549E+01 6.79032055430E+01 6.84618554656E+01 6.90225029207E+01 6.95850713992E+01 7.01494711415E+01 7.07156131860E+01 7.12834088716E+01 7.18527574294E+01 7.24235554247E+01 7.29957092884E+01 7.35690962963E+01 7.41436124389E+01 7.47191332964E+01 7.52955425708E+01 7.58727139632E+01 7.64505098480E+01 7.70288000218E+01 7.76074387102E+01 7.81862821014E+01 7.87651818056E+01 7.93439742757E+01 7.99224998882E+01 8.05005938011E+01 8.10780782952E+01 8.16547732035E+01 8.22304961940E+01 8.28050565783E+01 8.33782524276E+01 8.39498802026E+01 8.45197345180E+01 8.50875918856E+01 8.56532281335E+01 8.62164158560E+01 8.67769146528E+01 8.73344775361E+01 8.78888567251E+01 8.84397859935E+01 8.89870007388E+01 8.95302242860E+01 9.00691733482E+01 9.06035566766E+01 9.11330745154E+01 9.16574180568E+01 9.21762701222E+01 9.26893099822E+01 9.31961981770E+01 9.36965969096E+01 9.41901523128E+01 9.46765032078E+01 9.51552859854E+01 9.56261176641E+01 9.60886096615E+01 9.65423676277E+01 9.69869861560E+01 9.74220442567E+01 9.78471214883E+01 9.82617815796E+01 9.86655756815E+01 9.90580576927E+01 9.94387573172E+01 9.98072017968E+01 1.00162910340E+02 1.00505387447E+02 1.00834132726E+02 1.01148631626E+02 1.01448367657E+02 1.01732805251E+02 1.02001408239E+02 1.02253624679E+02 1.02488897226E+02 1.02706660180E+02 1.02906340475E+02 1.03087352260E+02 1.03249104358E+02 1.03390999288E+02 1.03512430046E+02 1.03612783155E+02 1.03691440362E+02 1.03747775095E+02 1.03781155217E+02 1.03790945899E+02 1.03776504945E+02 1.03737189378E+02 1.03672348251E+02 1.03581335541E+02 1.03463495478E+02 1.03318175932E+02 1.03144724015E+02 1.02942487420E+02 1.02710818066E+02 1.02449066963E+02 1.02156593100E+02 1.01832758994E+02 1.01476933150E+02 1.01088493693E+02 1.00666831243E+02 1.00211337380E+02 9.97214284674E+01 9.91965313388E+01 9.86360854990E+01 9.80395511659E+01 9.74064088771E+01 9.67361616251E+01 9.60283379709E+01 9.52824907324E+01 9.44982040782E+01 9.36750921822E+01 9.28128064208E+01 9.19110293499E+01 9.09694913124E+01 8.99879602356E+01 8.89662504282E+01 8.79042290439E+01 8.68018110715E+01 8.56589694486E+01 8.44757404818E+01 8.32522130246E+01 8.19885576447E+01 8.06850025774E+01 7.93418590280E+01 7.79595114617E+01 7.65384305423E+01 7.50791765602E+01 7.35823951753E+01 7.20488316914E+01 7.04793306630E+01 6.88748451987E+01 6.72364313753E+01 6.55652639197E+01 6.38626370231E+01 6.21299620320E+01 6.03687839596E+01 5.85807762662E+01 5.67677500741E+01 5.49316583501E+01 5.30745929566E+01 5.11988023008E+01 4.93066817615E+01 4.74007830639E+01 4.54838173950E+01 4.35586587664E+01 4.16283394857E+01 3.96960675742E+01 3.77652091038E+01 3.58393041039E+01 3.39220567369E+01 3.20173420345E+01 3.01292024982E+01 2.82618431814E+01 2.64196307952E+01 2.46070914381E+01 2.28289015871E+01 2.10898843033E+01 1.93950002088E+01 1.77493419725E+01 1.61581146326E+01 1.46266343158E+01 1.31603052330E+01 1.17646069600E+01 1.04450798199E+01 9.20729556625E+00 8.05684408173E+00 6.99929990863E+00 6.04020386270E+00 5.18502197209E+00 4.43912102237E+00 3.80772577631E+00 3.29588663471E+00 2.90842909114E+00 2.64991371180E+00 2.52458189601E+00 2.53631085440E+00 2.68854808194E+00 2.98425650747E+00 3.42585197103E+00 4.01513523071E+00 4.75321852541E+00 5.64045651959E+00 6.67636845457E+00 7.85955626872E+00 9.18762432120E+00 1.06570960922E+01 1.22633248335E+01 1.40004098803E+01 1.58611050009E+01 1.78367361499E+01 1.99171081077E+01 2.20904289637E+01 2.43432247243E+01 2.66602619877E+01 2.90244877932E+01 3.14169613170E+01 3.38168084084E+01 3.62011856821E+01 3.85452572657E+01 4.08221942917E+01 4.30031932845E+01 4.50575199277E+01 4.69525843636E+01 4.86540442055E+01 5.01259491115E+01 5.13309261792E+01 5.22304123132E+01 5.27849409521E+01 5.29544809150E+01 5.26988456828E+01 5.19781675350E+01 5.07534455380E+01 4.89871775842E+01 4.66440720218E+01 4.36918526500E+01 4.01021514731E+01 3.58514982608E+01 3.09224042657E+01 2.53045339465E+01 1.89959658839E+01 1.20045267412E+01 4.34919283975E+00 -3.93847584418E+00 -1.28128785448E+01 -2.22129457954E+01 -3.20607836715E+01 -4.22604449221E+01 -5.26969163386E+01 -6.32354111117E+01 -7.37210868398E+01 -8.39793372130E+01 -9.38168356282E+01 -1.03023548781E+02 -1.11375976537E+02 -1.18641941490E+02 -1.24587297076E+02 -1.28985000903E+02 -1.31627097515E+02 -1.32340228523E+02 -1.31005425190E+02 -1.27583063497E+02 -1.22144013699E+02 -1.14825088111E+02 -1.05548936568E+02 -9.41658678805E+01 -8.05207145865E+01 -6.44482553131E+01 -4.58184506916E+01 -2.40962584774E+01 -2.63547974748E+00 2.62273839374E-01 -2.61006028683E-02 2.59742576635E-03 -2.58477999899E-04 2.57146011339E-05 -2.58544973719E-06 3.13405733994E-07 -5.43670169166E-08 5.52177192593E-08 -1.54172530108E-08 3 Number of nonzero Dij 1 1 -4.01129905560E-02 1 2 -2.89923362526E-02 2 2 -2.04858274171E-02 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 0 i j (l(j)) 1.71704519446E-02 Q_int 3.28262092815E-06 3.34893214274E-06 3.41658284592E-06 3.48560009362E-06 3.55601148817E-06 3.62784518938E-06 3.70112992575E-06 3.77589500598E-06 3.85217033067E-06 3.92998640428E-06 4.00937434732E-06 4.09036590877E-06 4.17299347881E-06 4.25729010170E-06 4.34328948907E-06 4.43102603330E-06 4.52053482133E-06 4.61185164867E-06 4.70501303367E-06 4.80005623215E-06 4.89701925228E-06 4.99594086975E-06 5.09686064327E-06 5.19981893039E-06 5.30485690362E-06 5.41201656685E-06 5.52134077218E-06 5.63287323702E-06 5.74665856153E-06 5.86274224647E-06 5.98117071138E-06 6.10199131310E-06 6.22525236469E-06 6.35100315476E-06 6.47929396712E-06 6.61017610088E-06 6.74370189094E-06 6.87992472891E-06 7.01889908441E-06 7.16068052681E-06 7.30532574750E-06 7.45289258241E-06 7.60344003523E-06 7.75702830088E-06 7.91371878960E-06 8.07357415145E-06 8.23665830131E-06 8.40303644446E-06 8.57277510254E-06 8.74594214015E-06 8.92260679195E-06 9.10283969026E-06 9.28671289330E-06 9.47429991393E-06 9.66567574901E-06 9.86091690931E-06 1.00601014501E-05 1.02633090022E-05 1.04706208038E-05 1.06821197331E-05 1.08978903411E-05 1.11180188852E-05 1.13425933641E-05 1.15717035527E-05 1.18054410378E-05 1.20438992545E-05 1.22871735240E-05 1.25353610913E-05 1.27885611637E-05 1.30468749511E-05 1.33104057056E-05 1.35792587633E-05 1.38535415857E-05 1.41333638032E-05 1.44188372584E-05 1.47100760508E-05 1.50071965822E-05 1.53103176034E-05 1.56195602610E-05 1.59350481463E-05 1.62569073443E-05 1.65852664838E-05 1.69202567888E-05 1.72620121309E-05 1.76106690825E-05 1.79663669713E-05 1.83292479355E-05 1.86994569812E-05 1.90771420391E-05 1.94624540243E-05 1.98555468961E-05 2.02565777190E-05 2.06657067260E-05 2.10830973814E-05 2.15089164469E-05 2.19433340472E-05 2.23865237380E-05 2.28386625754E-05 2.32999311857E-05 2.37705138379E-05 2.42505985166E-05 2.47403769971E-05 2.52400449213E-05 2.57498018761E-05 2.62698514720E-05 2.68004014248E-05 2.73416636379E-05 2.78938542864E-05 2.84571939033E-05 2.90319074668E-05 2.96182244902E-05 3.02163791127E-05 3.08266101926E-05 3.14491614022E-05 3.20842813244E-05 3.27322235518E-05 3.33932467868E-05 3.40676149451E-05 3.47555972598E-05 3.54574683885E-05 3.61735085224E-05 3.69040034972E-05 3.76492449068E-05 3.84095302189E-05 3.91851628928E-05 3.99764524997E-05 4.07837148457E-05 4.16072720969E-05 4.24474529068E-05 4.33045925468E-05 4.41790330390E-05 4.50711232914E-05 4.59812192365E-05 4.69096839718E-05 4.78568879036E-05 4.88232088939E-05 4.98090324096E-05 5.08147516748E-05 5.18407678270E-05 5.28874900748E-05 5.39553358604E-05 5.50447310241E-05 5.61561099728E-05 5.72899158515E-05 5.84466007182E-05 5.96266257226E-05 6.08304612879E-05 6.20585872964E-05 6.33114932790E-05 6.45896786080E-05 6.58936526941E-05 6.72239351873E-05 6.85810561812E-05 6.99655564224E-05 7.13779875229E-05 7.28189121774E-05 7.42889043850E-05 7.57885496743E-05 7.73184453345E-05 7.88792006495E-05 8.04714371377E-05 8.20957887960E-05 8.37529023486E-05 8.54434375012E-05 8.71680671997E-05 8.89274778938E-05 9.07223698066E-05 9.25534572088E-05 9.44214686985E-05 9.63271474862E-05 9.82712516865E-05 1.00254554614E-04 1.02277845084E-04 1.04341927727E-04 1.06447623294E-04 1.08595768983E-04 1.10787218767E-04 1.13022843721E-04 1.15303532367E-04 1.17630191017E-04 1.20003744128E-04 1.22425134663E-04 1.24895324452E-04 1.27415294574E-04 1.29986045730E-04 1.32608598640E-04 1.35283994433E-04 1.38013295051E-04 1.40797583666E-04 1.43637965092E-04 1.46535566220E-04 1.49491536449E-04 1.52507048132E-04 1.55583297029E-04 1.58721502768E-04 1.61922909316E-04 1.65188785459E-04 1.68520425289E-04 1.71919148704E-04 1.75386301915E-04 1.78923257961E-04 1.82531417239E-04 1.86212208042E-04 1.89967087101E-04 1.93797540150E-04 1.97705082489E-04 2.01691259564E-04 2.05757647561E-04 2.09905854002E-04 2.14137518360E-04 2.18454312684E-04 2.22857942235E-04 2.27350146130E-04 2.31932698008E-04 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