Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Modified by Stefano de Gironcoli [April 16th 2006]: Normalized Pseudo wfc's Info: CU PBE 3d10 4s1 RRKJ3 US 0 The Pseudo was generated with a Non-Relativistic Calculation 2.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3D 3 2 10.00 1.80000000000 2.50000000000 0.00000000000 3D 3 2 0.00 1.80000000000 2.50000000000 0.00000000000 4P 2 1 -1.00 2.80000000000 2.80000000000 0.00000000000 4S 1 0 1.00 2.80000000000 2.80000000000 0.00000000000 0 Version Number Cu Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 11.00000000000 Z valence -87.37946938100 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 899 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3D 2 10.00 4S 0 1.00 1.40923153050E-04 1.43052933768E-04 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3.80558981635E+00 3.78983657593E+00 3.76309788921E+00 3.72542767025E+00 3.67682997542E+00 3.61725426208E+00 3.54659367904E+00 3.46468725848E+00 3.37132696470E+00 3.26627059714E+00 3.14926156802E+00 3.02005653897E+00 2.87846183578E+00 2.72437937649E+00 2.55786262763E+00 2.37918273956E+00 2.18890455291E+00 1.98797157247E+00 1.77779829555E+00 1.56036742442E+00 1.33832855825E+00 1.11509393736E+00 8.94925751464E-01 6.83008729360E-01 4.85499261072E-01 3.09554833131E-01 1.63244130962E-01 5.59998387821E-02 -4.75462757108E-03 3.90839964882E-04 -3.06733381789E-05 2.23145289531E-06 -1.40156625555E-07 5.76269730911E-09 2.42157057380E-10 -1.21595458884E-10 -3.61927467792E-11 6.10731972226E-11 -1.26180169425E-11 4 Number of nonzero Dij 1 1 -2.15490807699E+00 1 2 -2.75629537777E+00 2 2 -3.52580918277E+00 3 3 1.00462677705E-02 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 2 i j (l(j)) 7.97162152229E-01 Q_int 3.11350098198E-22 3.40671269975E-22 3.72753742012E-22 4.07857557772E-22 4.46267250122E-22 4.88294147609E-22 5.34278897917E-22 5.84594228985E-22 6.39647970130E-22 6.99886357707E-22 7.65797652051E-22 8.37916095064E-22 9.16826240492E-22 1.00316769201E-21 1.09764028750E-21 1.20100977157E-21 1.31411400228E-21 1.43786974236E-21 1.57328009001E-21 1.72144260946E-21 1.88355822728E-21 2.06094096641E-21 2.25502859695E-21 2.46739428996E-21 2.69975936874E-21 2.95400726096E-21 3.23219876471E-21 3.53658875227E-21 3.86964444684E-21 4.23406542059E-21 4.63280547594E-21 5.06909658748E-21 5.54647509865E-21 6.06881038548E-21 6.64033621963E-21 7.26568508514E-21 7.94992572682E-21 8.69860423485E-21 9.51778899836E-21 1.04141198926E-20 1.13948620982E-20 1.24679649889E-20 1.36421265648E-20 1.49268639537E-20 1.63325905522E-20 1.78707004306E-20 1.95536606874E-20 2.13951125012E-20 2.34099816981E-20 2.56145997332E-20 2.80268360641E-20 3.06662429916E-20 3.35542141398E-20 3.67141578615E-20 4.01716869738E-20 4.39548263619E-20 4.80942401337E-20 5.26234801665E-20 5.75792580609E-20 6.30017427050E-20 6.89348858621E-20 7.54267784197E-20 8.25300401889E-20 9.03022464119E-20 9.88063944363E-20 1.08111414338E-19 1.18292727629E-19 1.29432858588E-19 1.41622103155E-19 1.54959260819E-19 1.69552435440E-19 1.85519911475E-19 2.02991112729E-19 2.22107651399E-19 2.43024475898E-19 2.65911126791E-19 2.90953110994E-19 3.18353405397E-19 3.48334102080E-19 3.81138208477E-19 4.17031617055E-19 4.56305260504E-19 4.99277469871E-19 5.46296554783E-19 5.97743626657E-19 6.54035687778E-19 7.15629011297E-19 7.83022839530E-19 8.56763430547E-19 9.37448485840E-19 1.02573199497E-18 1.12232953644E-18 1.22802407779E-18 1.34367232192E-18 1.47021165103E-18 1.60866772452E-18 1.76016279246E-18 1.92592479191E-18 2.10729729991E-18 2.30575042376E-18 2.52289271694E-18 2.76048421711E-18 3.02045071205E-18 3.30489934901E-18 3.61613571407E-18 3.95668251999E-18 4.32930005388E-18 4.73700855055E-18 5.18311267292E-18 5.67122829772E-18 6.20531182377E-18 6.78969224042E-18 7.42910621583E-18 8.12873648981E-18 8.89425388219E-18 9.73186325730E-18 1.06483538171E-17 1.16511541308E-17 1.27483923463E-17 1.39489620727E-17 1.52625944668E-17 1.66999371081E-17 1.82726403024E-17 1.99934515125E-17 2.18763186814E-17 2.39365032870E-17 2.61907040424E-17 2.86571922467E-17 3.13559598807E-17 3.43088816515E-17 3.75398922953E-17 4.10751805790E-17 4.49434015712E-17 4.91759089031E-17 5.38070089032E-17 5.88742386641E-17 6.44186702961E-17 7.04852438337E-17 7.71231314929E-17 8.43861362322E-17 9.23331278473E-17 1.01028520135E-16 1.10542792992E-16 1.20953063683E-16 1.32343711908E-16 1.44807063733E-16 1.58444139927E-16 1.73365474776E-16 1.89692012008E-16 2.07556085088E-16 2.27102489829E-16 2.48489658020E-16 2.71890941577E-16 2.97496017621E-16 3.25512425887E-16 3.56167250906E-16 3.89708962610E-16 4.26409430276E-16 4.66566126117E-16 5.10504536404E-16 5.58580799653E-16 6.11184593242E-16 6.68742291892E-16 7.31720423574E-16 8.00629450880E-16 8.76027908494E-16 9.58526930299E-16 1.04879520282E-15 1.14756438514E-15 1.25563503924E-15 1.37388311880E-15 1.50326706907E-15 1.64483559536E-15 1.79973616314E-15 1.96922429855E-15 2.15467376481E-15 2.35758769697E-15 2.57961078526E-15 2.82254260570E-15 3.08835220619E-15 3.37919406615E-15 3.69742555908E-15 4.04562605974E-15 4.42661785052E-15 4.84348899674E-15 5.29961837613E-15 5.79870306536E-15 6.34478830561E-15 6.94230029014E-15 7.59608203938E-15 8.31143265457E-15 9.09415026790E-15 9.95057903740E-15 1.08876605673E-14 1.19129901708E-14 1.30348784314E-14 1.42624185607E-14 1.56055601006E-14 1.70751895653E-14 1.86832186772E-14 2.04426809131E-14 2.23678371411E-14 2.44742912059E-14 2.67791163991E-14 2.93009938385E-14 3.20603638797E-14 3.50795917848E-14 3.83831489932E-14 4.19978114624E-14 4.59528766863E-14 5.02804011499E-14 5.50154601456E-14 6.01964320555E-14 6.58653094048E-14 7.20680392068E-14 7.88548953574E-14 8.62808860982E-14 9.44061998485E-14 1.03296693023E-13 1.13024423782E-13 1.23668236051E-13 1.35314398527E-13 1.48057303866E-13 1.62000233709E-13 1.77256195746E-13 1.93948839604E-13 2.12213458988E-13 2.32198088180E-13 2.54064701797E-13 2.77990527527E-13 3.04169482474E-13 3.32813744763E-13 3.64155473130E-13 3.98448688444E-13 4.35971332397E-13 4.77027520049E-13 5.21950004483E-13 5.71102873545E-13 6.24884500512E-13 6.83730772608E-13 7.48118623525E-13 8.18569898577E-13 8.95655583800E-13 9.80000433278E-13 1.07228803218E-12 1.17326633653E-12 1.28375373462E-12 1.40464567918E-12 1.53692194397E-12 1.68165456370E-12 1.84001652157E-12 2.01329125479E-12 2.20288305510E-12 2.41032844861E-12 2.63730864716E-12 2.88566317193E-12 3.15740475996E-12 3.45473567404E-12 3.78006554836E-12 4.13603091436E-12 4.52551656496E-12 4.95167893040E-12 5.41797165484E-12 5.92817358113E-12 6.48641937030E-12 7.09723300390E-12 7.76556444059E-12 8.49682972384E-12 9.29695486569E-12 1.01724238620E-11 1.11303312284E-11 1.21784394817E-11 1.33252420334E-11 1.45800320039E-11 1.59529775152E-11 1.74552040717E-11 1.90988846963E-11 2.08973385518E-11 2.28651388468E-11 2.50182308993E-11 2.73740613136E-11 2.99517193191E-11 3.27720914116E-11 3.58580305533E-11 3.92345413014E-11 4.29289823476E-11 4.69712881590E-11 5.13942114312E-11 5.62335884126E-11 6.15286291825E-11 6.73222352028E-11 7.36613468153E-11 8.05973235611E-11 8.81863598399E-11 9.64899404910E-11 1.05575338317E-10 1.15516159117E-10 1.26392937920E-10 1.38293790783E-10 1.51315128822E-10 1.65562438514E-10 1.81151136246E-10 1.98207502605E-10 2.16869705085E-10 2.37288916666E-10 2.59630539955E-10 2.84075546196E-10 3.10821940510E-10 3.40086364959E-10 3.72105852040E-10 4.07139744077E-10 4.45471791506E-10 4.87412452045E-10 5.33301400243E-10 5.83510279330E-10 6.38445708390E-10 6.98552573297E-10 7.64317625897E-10 8.36273424655E-10 9.15002643137E-10 1.00114278669E-09 1.09539134659E-09 1.19851144632E-09 1.31133801555E-09 1.43478454418E-09 1.56985046901E-09 1.71762926311E-09 1.87931727651E-09 2.05622341276E-09 2.24977971538E-09 2.46155294804E-09 2.69325726162E-09 2.94676805770E-09 3.22413714844E-09 3.52760934492E-09 3.85964060468E-09 4.22291788057E-09 4.62038083764E-09 5.05524561575E-09 5.53103081319E-09 6.05158591913E-09 6.62112241520E-09 7.24424779824E-09 7.92600280211E-09 8.67190210237E-09 9.48797886364E-09 1.03808334567E-08 1.13576867406E-08 1.24264383701E-08 1.35957305600E-08 1.48750178433E-08 1.62746433683E-08 1.78059223489E-08 1.94812333869E-08 2.13141182853E-08 2.33193913260E-08 2.55132586830E-08 2.79134491425E-08 3.05393570279E-08 3.34121984976E-08 3.65551825770E-08 3.99936981407E-08 4.37555184882E-08 4.78710250188E-08 5.23734519550E-08 5.72991538999E-08 6.26878985182E-08 6.85831866089E-08 7.50326021413E-08 8.20881950727E-08 8.98068999917E-08 9.82509939696E-08 1.07488597188E-07 1.17594220460E-07 1.28649363967E-07 1.40743171917E-07 1.53973148470E-07 1.68445940572E-07 1.84278193902E-07 2.01597488874E-07 2.20543363942E-07 2.41268434589E-07 2.63939616677E-07 2.88739464063E-07 3.15867630901E-07 3.45542470499E-07 3.78002783122E-07 4.13509726866E-07 4.52348906465E-07 4.94832656832E-07 5.41302539175E-07 5.92132069564E-07 6.47729701382E-07 7.08542085318E-07 7.75057632406E-07 8.47810408414E-07 9.27384390082E-07 1.01441811662E-06 1.10960977316E-06 1.21372274604E-06 1.32759169317E-06 1.45212917753E-06 1.58833291518E-06 1.73729369480E-06 1.90020403035E-06 2.07836761431E-06 2.27320964527E-06 2.48628811001E-06 2.71930610776E-06 2.97412531211E-06 3.25278067508E-06 3.55749648687E-06 3.89070391518E-06 4.25506015974E-06 4.65346936912E-06 5.08910548067E-06 5.56543715913E-06 6.08625502436E-06 6.65570137685E-06 7.27830264769E-06 7.95900482000E-06 8.70321209142E-06 9.51682907045E-06 1.04063068266E-05 1.13786931418E-05 1.24416873417E-05 1.36037001199E-05 1.48739188019E-05 1.62623785396E-05 1.77800399658E-05 1.94388738864E-05 2.12519536404E-05 2.32335558097E-05 2.53992700218E-05 2.77661186544E-05 3.03526873176E-05 3.31792670681E-05 3.62680093914E-05 3.96430950763E-05 4.33309182019E-05 4.73602865634E-05 5.17626399745E-05 5.65722880045E-05 6.18266688436E-05 6.75666311292E-05 7.38367407193E-05 8.06856145674E-05 8.81662840298E-05 9.63365901288E-05 1.05259613505E-04 1.15004142011E-04 1.25645179146E-04 1.37264496781E-04 1.49951235911E-04 1.63802559453E-04 1.78924361462E-04 1.95432037430E-04 2.13451320750E-04 2.33119190786E-04 2.54584858431E-04 2.78010835470E-04 3.03574094557E-04 3.31467327103E-04 3.61900306955E-04 3.95101368285E-04 4.31319006729E-04 4.70823613500E-04 5.13909352834E-04 5.60896193900E-04 6.12132109052E-04 6.67995451105E-04 7.28897523187E-04 7.95285355577E-04 8.67644704905E-04 9.46503292027E-04 1.03243429592E-03 1.12606012195E-03 1.22805646404E-03 1.33915668122E-03 1.46015651025E-03 1.59191913735E-03 1.73538065271E-03 1.89155591339E-03 2.06154484057E-03 2.24653917889E-03 2.44782974649E-03 2.66681420528E-03 2.90500538229E-03 3.16404017364E-03 3.44568906351E-03 3.75186629129E-03 4.08464070031E-03 4.44624730214E-03 4.83909959024E-03 5.26580263662E-03 5.72916700447E-03 6.23222350866E-03 6.77823885478E-03 7.37073218492E-03 8.01349255618E-03 8.71059737421E-03 9.46643180016E-03 1.02857091442E-02 1.11734922529E-02 1.21352158897E-02 1.31767101019E-02 1.43042245526E-02 1.55244537909E-02 1.68445634159E-02 1.82722170757E-02 1.98156042289E-02 2.14834685707E-02 2.32851370114E-02 2.52305490635E-02 2.73302864722E-02 2.95956028897E-02 3.20384533647E-02 3.46715233769E-02 3.75082571106E-02 4.05628846153E-02 4.38504474536E-02 4.73868223870E-02 5.11887425925E-02 5.52738158463E-02 5.96605390466E-02 6.43683083798E-02 6.94174243688E-02 7.48290909639E-02 8.06254077666E-02 8.68293543955E-02 9.34647659293E-02 1.00556298280E-01 1.08129382280E-01 1.16210165176E-01 1.24825438186E-01 1.34002548663E-01 1.43769295418E-01 1.54153805640E-01 1.65184391896E-01 1.76889387623E-01 1.89296959566E-01 2.02434895651E-01 2.16330366844E-01 2.31009661628E-01 2.46497891926E-01 2.62818669416E-01 2.79993751471E-01 2.98042656233E-01 3.16982246689E-01 3.36826284023E-01 3.57584951055E-01 3.79264347101E-01 4.01865956287E-01 4.25386092046E-01 4.49815321401E-01 4.75137873485E-01 5.01331037792E-01 5.28364558688E-01 5.56200033848E-01 5.84790325491E-01 6.14078994501E-01 6.43999768774E-01 6.74476058382E-01 7.05420531351E-01 7.36734764979E-01 7.68308988643E-01 8.00021934901E-01 8.31740816335E-01 8.63321445925E-01 8.94608518788E-01 9.25436072719E-01 9.55628144096E-01 9.84999634337E-01 1.01335740005E+00 1.04050157735E+00 1.06622714747E+00 1.09032574648E+00 1.11258771724E+00 1.13280439586E+00 1.15077061847E+00 1.16628742729E+00 1.17916494697E+00 1.18922539446E+00 1.19630617717E+00 1.20026302596E+00 1.20097310175E+00 1.19833800699E+00 1.19228662715E+00 1.18277772253E+00 1.16980218772E+00 1.15338489534E+00 1.13358604278E+00 1.11050192568E+00 1.08426507027E+00 1.05504366878E+00 1.02304027749E+00 9.88489756015E-01 9.51656448507E-01 9.12830631937E-01 8.72324283214E-01 8.30466243876E-01 7.87596887824E-01 7.44062422348E-01 7.00208974023E-01 6.56376627465E-01 6.12893594832E-01 5.70070696179E-01 5.28196324266E-01 4.87532051799E-01 4.48309014509E-01 4.10725170731E-01 3.74943498946E-01 3.41091151432E-01 3.09259537792E-01 2.79505270206E-01 2.51851866457E-01 2.26292080741E-01 2.02790718634E-01 1.81287793374E-01 1.61701895775E-01 1.43933678058E-01 1.27869388824E-01 1.13384436616E-01 1.00346995824E-01 8.86216933085E-02 7.80734196756E-02 6.85712904501E-02 5.99927375407E-02 5.22276434211E-02 4.51823478328E-02 3.87832734436E-02 3.29798505770E-02 2.77589003572E-02 2.31031022276E-02 1.89910945239E-02 1.53976607459E-02 1.22940040930E-02 9.64811023110E-03 7.42519537175E-03 5.58823368572E-03 4.09855496648E-03 2.91650048038E-03 2.00212226616E-03 1.31590897107E-03 8.19519817661E-04 4.76507641103E-04 2.53012226239E-04 1.18406434222E-04 4.58797638969E-05 1.29468368182E-05 1.87147514744E-06 5.33598859542E-11 0.00000000000E+00 -1.38777878078E-17 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 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 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 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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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