Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 25 12 2005 Automatically converted from original format 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 2.00 0.75000000000 1.10000000000 -3.77781144294 2S 2 0 0.80 0.75000000000 1.10000000000 -0.21940584110 2P 2 1 0.20 0.75000000000 1.10000000000 -0.09091149391 0 Version Number Li Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 3.00000000000 Z valence -14.35068961308 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 751 Number of points in mesh 3 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 2.00 2S 0 1.00 2P 1 0.00 0.00000000000E+00 5.10846319546E-06 1.03027809112E-05 1.55843960465E-05 2.09547757508E-05 2.64154118307E-05 3.19678211647E-05 3.76135461243E-05 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4.77043306713E-01 4.90570395382E-01 5.04380287224E-01 5.18471276622E-01 5.32840911161E-01 5.47485923713E-01 5.62402170035E-01 5.77584551151E-01 5.93026942362E-01 6.08722110227E-01 6.24661626702E-01 6.40835782351E-01 6.57233490587E-01 6.73842187270E-01 6.90647728275E-01 7.07634279339E-01 7.24784201602E-01 7.42077931052E-01 7.59493854950E-01 7.77008180839E-01 7.94594800633E-01 8.12225151000E-01 8.29868069358E-01 8.47489639399E-01 8.65053043204E-01 8.82518397132E-01 8.99842594420E-01 9.16979136374E-01 9.33877969536E-01 9.50485313299E-01 9.66743493355E-01 9.82590771475E-01 9.97961180664E-01 1.01278435976E+00 1.02698539657E+00 1.04048467625E+00 1.05319773898E+00 1.06503515023E+00 1.07590238368E+00 1.08569972547E+00 1.09432219502E+00 1.10165949557E+00 1.10759599120E+00 1.11201072207E+00 1.11477745432E+00 1.11576478367E+00 1.11483628478E+00 1.11185072651E+00 1.10666235031E+00 1.09912123015E+00 1.08907371762E+00 1.07636297961E+00 1.06082965164E+00 1.04231260374E+00 1.02064984366E+00 9.95679563202E-01 9.67241347324E-01 9.35177559098E-01 8.99334912786E-01 8.59566261029E-01 8.15732601882E-01 7.67705330925E-01 7.15368751058E-01 6.58622861265E-01 5.97386434225E-01 5.31600403484E-01 4.61231570818E-01 3.86276645942E-01 3.06766619002E-01 2.22771482157E-01 1.34405279997E-01 4.18314912668E-02 -5.47312841002E-02 -1.55003367510E-01 -2.58637810461E-01 -3.65214046399E-01 -4.74231458229E-01 -5.85102980109E-01 -6.97148870982E-01 -8.09590841423E-01 -9.21546749392E-01 -1.03202614630E+00 -1.13992700168E+00 -1.24403402172E+00 -1.34301904538E+00 -1.43544412679E+00 -1.51976799945E+00 -1.59435679117E+00 -1.65749998439E+00 -1.70743284396E+00 -1.74236671272E+00 -1.76052887681E+00 -1.76021395990E+00 -1.73984918380E+00 -1.69807622657E+00 -1.63385286681E+00 -1.54657817791E+00 -1.43624563823E+00 -1.30362928741E+00 -1.15050889676E+00 -9.79941141988E-01 -7.96584900376E-01 -6.07090331568E-01 -4.20561348724E-01 -2.49118955621E-01 -1.08440523328E-01 -1.96454577861E-02 1.12948886263E-03 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 6 Number of nonzero Dij 1 1 4.91909731776E-01 1 2 9.27386596534E+00 2 2 2.52261696710E+01 3 3 7.86045035399E+00 3 4 -7.86764414973E+00 4 4 7.60789343220E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 7.50000000000E-01 2 7.50000000000E-01 3 7.50000000000E-01 1 1 0 i j (l(j)) 1.92552826343E+00 Q_int 0.00000000000E+00 1.99944247378E-09 8.13274780335E-09 1.86083698075E-08 3.36429763424E-08 5.34617470175E-08 7.82986813282E-08 1.08396917561E-07 1.44009062844E-07 1.85397534727E-07 2.32834914681E-07 2.86604313939E-07 3.46999752090E-07 4.14326548871E-07 4.88901729615E-07 5.71054444805E-07 6.61126404249E-07 7.59472326347E-07 8.66460402987E-07 9.82472780606E-07 1.10790605796E-06 1.24317180117E-06 1.38869707669E-06 1.54492500272E-06 1.71231531978E-06 1.89134498105E-06 2.08250876318E-06 2.28631989829E-06 2.50331072778E-06 2.73403337888E-06 2.97906046455E-06 3.23898580757E-06 3.51442518977E-06 3.80601712708E-06 4.11442367138E-06 4.44033124007E-06 4.78445147431E-06 5.14752212683E-06 5.53030798048E-06 5.93360179838E-06 6.35822530687E-06 6.80503021245E-06 7.27489925361E-06 7.76874728907E-06 8.28752242344E-06 8.83220717163E-06 9.40381966342E-06 1.00034148895E-05 1.06320859902E-05 1.12909655891E-05 1.19812271718E-05 1.27040865124E-05 1.34608031494E-05 1.42526819120E-05 1.50810744984E-05 1.59473811095E-05 1.68530521372E-05 1.77995899122E-05 1.87885505109E-05 1.98215456241E-05 2.09002444909E-05 2.20263758980E-05 2.32017302477E-05 2.44281616975E-05 2.57075903722E-05 2.70420046523E-05 2.84334635410E-05 2.98840991119E-05 3.13961190407E-05 3.29718092240E-05 3.46135364871E-05 3.63237513851E-05 3.81049910999E-05 3.99598824358E-05 4.18911449184E-05 4.39015939989E-05 4.59941443686E-05 4.81718133862E-05 5.04377246229E-05 5.27951115280E-05 5.52473212212E-05 5.77978184125E-05 6.04501894582E-05 6.32081465542E-05 6.60755320730E-05 6.90563230487E-05 7.21546358156E-05 7.53747308051E-05 7.87210175060E-05 8.21980595950E-05 8.58105802413E-05 8.95634675937E-05 9.34617804535E-05 9.75107541421E-05 1.01715806568E-04 1.06082544503E-04 1.10616770067E-04 1.15324487443E-04 1.20211909811E-04 1.25285466528E-04 1.30551810543E-04 1.36017826074E-04 1.41690636543E-04 1.47577612778E-04 1.53686381499E-04 1.60024834094E-04 1.66601135691E-04 1.73423734538E-04 1.80501371709E-04 1.87843091132E-04 1.95458249965E-04 2.03356529326E-04 2.11547945381E-04 2.20042860816E-04 2.28851996701E-04 2.37986444750E-04 2.47457680008E-04 2.57277573960E-04 2.67458408097E-04 2.78012887933E-04 2.88954157506E-04 3.00295814371E-04 3.12051925100E-04 3.24237041313E-04 3.36866216255E-04 3.49955021930E-04 3.63519566827E-04 3.77576514241E-04 3.92143101220E-04 4.07237158161E-04 4.22877129060E-04 4.39082092466E-04 4.55871783130E-04 4.73266614408E-04 4.91287701408E-04 5.09956884937E-04 5.29296756252E-04 5.49330682661E-04 5.70082833982E-04 5.91578209915E-04 6.13842668328E-04 6.36902954518E-04 6.60786731455E-04 6.85522611059E-04 7.11140186536E-04 7.37670065811E-04 7.65143906100E-04 7.93594449651E-04 8.23055560697E-04 8.53562263670E-04 8.85150782703E-04 9.17858582476E-04 9.51724410449E-04 9.86788340525E-04 1.02309181819E-03 1.06067770720E-03 1.09959033783E-03 1.13987555675E-03 1.18158077866E-03 1.22475503956E-03 1.26944905194E-03 1.31571526177E-03 1.36360790743E-03 1.41318308068E-03 1.46449878961E-03 1.51761502382E-03 1.57259382175E-03 1.62949934028E-03 1.68839792673E-03 1.74935819326E-03 1.81245109381E-03 1.87775000362E-03 1.94533080147E-03 2.01527195468E-03 2.08765460698E-03 2.16256266941E-03 2.24008291416E-03 2.32030507176E-03 2.40332193139E-03 2.48922944469E-03 2.57812683304E-03 2.67011669844E-03 2.76530513817E-03 2.86380186330E-03 2.96572032122E-03 3.07117782228E-03 3.18029567072E-03 3.29319930001E-03 3.41001841277E-03 3.53088712536E-03 3.65594411742E-03 3.78533278636E-03 3.91920140715E-03 4.05770329737E-03 4.20099698798E-03 4.34924639967E-03 4.50262102526E-03 4.66129611818E-03 4.82545288729E-03 4.99527869831E-03 5.17096728190E-03 5.35271894886E-03 5.54074081247E-03 5.73524701831E-03 5.93645898182E-03 6.14460563378E-03 6.35992367409E-03 6.58265783394E-03 6.81306114690E-03 7.05139522896E-03 7.29793056804E-03 7.55294682311E-03 7.81673313334E-03 8.08958843759E-03 8.37182180454E-03 8.66375277383E-03 8.96571170867E-03 9.27804016002E-03 9.60109124312E-03 9.93523002638E-03 1.02808339333E-02 1.06382931576E-02 1.10080110926E-02 1.13904047741E-02 1.17859053386E-02 1.21949584963E-02 1.26180250204E-02 1.30555812512E-02 1.35081196190E-02 1.39761491817E-02 1.44601961828E-02 1.49608046253E-02 1.54785368667E-02 1.60139742316E-02 1.65677176461E-02 1.71403882919E-02 1.77326282822E-02 1.83451013599E-02 1.89784936184E-02 1.96335142461E-02 2.03108962947E-02 2.10113974734E-02 2.17358009679E-02 2.24849162868E-02 2.32595801351E-02 2.40606573157E-02 2.48890416605E-02 2.57456569912E-02 2.66314581111E-02 2.75474318288E-02 2.84945980144E-02 2.94740106902E-02 3.04867591552E-02 3.15339691461E-02 3.26168040353E-02 3.37364660660E-02 3.48941976271E-02 3.60912825684E-02 3.73290475562E-02 3.86088634721E-02 3.99321468555E-02 4.13003613909E-02 4.27150194411E-02 4.41776836280E-02 4.56899684625E-02 4.72535420236E-02 4.88701276899E-02 5.05415059226E-02 5.22695161038E-02 5.40560584294E-02 5.59030958594E-02 5.78126561262E-02 5.97868338025E-02 6.18277924311E-02 6.39377667166E-02 6.61190647812E-02 6.83740704866E-02 7.07052458228E-02 7.31151333644E-02 7.56063587984E-02 7.81816335221E-02 8.08437573146E-02 8.35956210815E-02 8.64402096765E-02 8.93806047987E-02 9.24199879690E-02 9.55616435851E-02 9.88089620581E-02 1.02165443030E-01 1.05634698675E-01 1.09220457083E-01 1.12926565732E-01 1.16756995038E-01 1.20715842002E-01 1.24807333932E-01 1.29035832262E-01 1.33405836454E-01 1.37921987985E-01 1.42589074426E-01 1.47412033604E-01 1.52395957854E-01 1.57546098351E-01 1.62867869529E-01 1.68366853585E-01 1.74048805059E-01 1.79919655495E-01 1.85985518173E-01 1.92252692923E-01 1.98727670996E-01 2.05417140011E-01 2.12327988949E-01 2.19467313213E-01 2.26842419728E-01 2.34460832086E-01 2.42330295721E-01 2.50458783111E-01 2.58854498996E-01 2.67525885593E-01 2.76481627813E-01 2.85730658447E-01 2.95282163328E-01 3.05145586428E-01 3.15330634901E-01 3.25847284028E-01 3.36705782056E-01 3.47916654910E-01 3.59490710743E-01 3.71439044310E-01 3.83773041122E-01 3.96504381364E-01 4.09645043525E-01 4.23207307725E-01 4.37203758671E-01 4.51647288219E-01 4.66551097492E-01 4.81928698488E-01 4.97793915142E-01 5.14160883768E-01 5.31044052825E-01 5.48458181933E-01 5.66418340062E-01 5.84939902832E-01 6.04038548805E-01 6.23730254713E-01 6.44031289498E-01 6.64958207069E-01 6.86527837665E-01 7.08757277693E-01 7.31663877928E-01 7.55265229922E-01 7.79579150488E-01 8.04623664096E-01 8.30416983025E-01 8.56977485085E-01 8.84323688730E-01 9.12474225375E-01 9.41447808685E-01 9.71263200649E-01 1.00193917419E+00 1.03349447207E+00 1.06594776185E+00 1.09931758662E+00 1.13362231127E+00 1.16888006393E+00 1.20510867241E+00 1.24232559514E+00 1.28054784657E+00 1.31979191641E+00 1.36007368255E+00 1.40140831739E+00 1.44381018698E+00 1.48729274290E+00 1.53186840645E+00 1.57754844468E+00 1.62434283822E+00 1.67226014033E+00 1.72130732702E+00 1.77148963796E+00 1.82281040795E+00 1.87527088872E+00 1.92887006093E+00 1.98360443629E+00 2.03946784983E+00 2.09645124228E+00 2.15454243273E+00 2.21372588195E+00 2.27398244659E+00 2.33528912483E+00 2.39761879425E+00 2.46093994260E+00 2.52521639261E+00 2.59040702216E+00 2.65646548110E+00 2.72333990664E+00 2.79097263930E+00 2.85929994170E+00 2.92825172275E+00 2.99775127045E+00 3.06771499636E+00 3.13805219552E+00 3.20866482585E+00 3.27944731142E+00 3.35028637433E+00 3.42106090017E+00 3.49164184256E+00 3.56189217221E+00 3.63166687634E+00 3.70081301426E+00 3.76916983487E+00 3.83656896176E+00 3.90283465113E+00 3.96778412719E+00 4.03122799903E+00 4.09297076164E+00 4.15281138259E+00 4.21054397391E+00 4.26595854652E+00 4.31884184222E+00 4.36897823471E+00 4.41615068781E+00 4.46014175508E+00 4.50073460009E+00 4.53771401197E+00 4.57086738557E+00 4.59998562973E+00 4.62486396200E+00 4.64530254280E+00 4.66110689718E+00 4.67208806917E+00 4.67806245139E+00 4.67885123356E+00 4.67427941674E+00 4.66417434871E+00 4.64836374889E+00 4.62667321174E+00 4.59892320590E+00 4.56492562482E+00 4.52447999383E+00 4.47736950141E+00 4.42335709786E+00 4.36218199550E+00 4.29355700850E+00 4.21716728704E+00 4.13267112565E+00 4.03970365304E+00 3.93788433063E+00 3.82682928519E+00 3.70616955759E+00 3.57557633712E+00 3.43479413518E+00 3.28368258769E+00 3.12226711082E+00 2.95079790500E+00 2.76981574202E+00 2.58022150997E+00 2.38334457501E+00 2.18100262270E+00 1.97554280006E+00 1.76985084248E+00 1.56731177029E+00 1.37170331483E+00 1.18700258755E+00 1.01708945788E+00 8.65339548998E-01 7.34120173680E-01 6.24240709117E-01 5.34474995593E-01 4.61382293286E-01 3.99826946754E-01 3.44862278155E-01 2.94633407581E-01 2.49058917768E-01 2.08085668105E-01 1.71619346951E-01 1.39524486528E-01 1.11625260344E-01 8.77071588566E-02 6.75196295286E-02 5.07797518853E-02 3.71769947015E-02 2.63790699642E-02 1.80388549279E-02 1.18022980196E-02 7.31715496831E-03 4.24231688187E-03 2.25739092723E-03 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