Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.76534165215E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 10.00000000000 1.76534165215 -0.57764686171 3P 3 1 1.00 10.00000000000 1.76534165215 -0.20658596053 0 Version Number Al Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ B88 P86 BP Exchange-Correlation functional 3.00000000000 Z valence -12.31255131004 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 893 Number of points in mesh 2 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 1.00 0.00000000000E+00 1.17887612203E-06 2.37756482565E-06 3.59639908765E-06 4.83571748095E-06 6.09586426862E-06 7.37718949954E-06 8.68004910562E-06 1.00048050007E-05 1.13518251810E-05 1.27214838275E-05 1.41141614098E-05 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3.06030228867E-07 3.18436839531E-07 3.31304721893E-07 3.44650195634E-07 3.58490145098E-07 3.72842038631E-07 3.87723948566E-07 4.03154571904E-07 4.19153251680E-07 4.35739999076E-07 4.52935516272E-07 4.70761220085E-07 4.89239266407E-07 5.08392575479E-07 5.28244858019E-07 5.48820642250E-07 5.70145301837E-07 5.92245084781E-07 6.15147143294E-07 6.38879564695E-07 6.63471403347E-07 6.88952713695E-07 7.15354584417E-07 7.42709173738E-07 7.71049745954E-07 8.00410709187E-07 8.30827654430E-07 8.62337395921E-07 8.94978012891E-07 9.28788892722E-07 9.63810775589E-07 1.00008580061E-06 1.03765755354E-06 1.07657111618E-06 1.11687311732E-06 1.15861178554E-06 1.20183700375E-06 1.24660036558E-06 1.29295523373E-06 1.34095680024E-06 1.39066214885E-06 1.44213031951E-06 1.49542237496E-06 1.55060146975E-06 1.60773292146E-06 1.66688428439E-06 1.72812542579E-06 1.79152860460E-06 1.85716855295E-06 1.92512256039E-06 1.99547056096E-06 2.06829522324E-06 2.14368204349E-06 2.22171944190E-06 2.30249886215E-06 2.38611487430E-06 2.47266528126E-06 2.56225122880E-06 2.65497731930E-06 2.75095172945E-06 2.85028633183E-06 2.95309682067E-06 3.05950284193E-06 3.16962812771E-06 3.28360063528E-06 3.40155269082E-06 3.52362113803E-06 3.64994749180E-06 3.78067809707E-06 3.91596429314E-06 4.05596258348E-06 4.20083481140E-06 4.35074834159E-06 4.50587624786E-06 4.66639750731E-06 4.83249720098E-06 5.00436672140E-06 5.18220398718E-06 5.36621366479E-06 5.55660739801E-06 5.75360404506E-06 5.95742992382E-06 6.16831906537E-06 6.38651347613E-06 6.61226340891E-06 6.84582764313E-06 7.08747377456E-06 7.33747851494E-06 7.59612800170E-06 7.86371811822E-06 8.14055482496E-06 8.42695450182E-06 8.72324430212E-06 9.02976251860E-06 9.34685896181E-06 9.67489535139E-06 1.00142457205E-05 1.03652968344E-05 1.07284486222E-05 1.11041146247E-05 1.14927224564E-05 1.18947142832E-05 1.23105473171E-05 1.27406943266E-05 1.31856441655E-05 1.36459023184E-05 1.41219914664E-05 1.46144520700E-05 1.51238429734E-05 1.56507420284E-05 1.61957467401E-05 1.67594749334E-05 1.73425654436E-05 1.79456788294E-05 1.85694981102E-05 1.92147295287E-05 1.98821033391E-05 2.05723746225E-05 2.12863241291E-05 2.20247591498E-05 2.27885144170E-05 2.35784530360E-05 2.43954674477E-05 2.52404804246E-05 2.61144460998E-05 2.70183510317E-05 2.79532153040E-05 2.89200936637E-05 2.99200766969E-05 3.09542920457E-05 3.20239056648E-05 3.31301231221E-05 3.42741909425E-05 3.54573979976E-05 3.66810769427E-05 3.79466057019E-05 3.92554090045E-05 4.06089599725E-05 4.20087817625E-05 4.34564492632E-05 4.49535908503E-05 4.65018902012E-05 4.81030881703E-05 4.97589847296E-05 5.14714409729E-05 5.32423811901E-05 5.50737950101E-05 5.69677396171E-05 5.89263420423E-05 6.09518015326E-05 6.30463919998E-05 6.52124645532E-05 6.74524501176E-05 6.97688621401E-05 7.21642993888E-05 7.46414488461E-05 7.72030887002E-05 7.98520914382E-05 8.25914270433E-05 8.54241663014E-05 8.83534842185E-05 9.13826635549E-05 9.45150984789E-05 9.77542983438E-05 1.01103891593E-04 1.04567629800E-04 1.08149391837E-04 1.11853188199E-04 1.15683165458E-04 1.19643610881E-04 1.23738957199E-04 1.27973787536E-04 1.32352840507E-04 1.36881015491E-04 1.41563378078E-04 1.46405165705E-04 1.51411793476E-04 1.56588860191E-04 1.61942154562E-04 1.67477661658E-04 1.73201569556E-04 1.79120276217E-04 1.85240396606E-04 1.91568770039E-04 1.98112467788E-04 2.04878800937E-04 2.11875328515E-04 2.19109865887E-04 2.26590493446E-04 2.34325565589E-04 2.42323719997E-04 2.50593887237E-04 2.59145300677E-04 2.67987506748E-04 2.77130375545E-04 2.86584111790E-04 2.96359266165E-04 3.06466747028E-04 3.16917832528E-04 3.27724183123E-04 3.38897854530E-04 3.50451311106E-04 3.62397439683E-04 3.74749563872E-04 3.87521458851E-04 4.00727366648E-04 4.14382011949E-04 4.28500618427E-04 4.43098925639E-04 4.58193206480E-04 4.73800285230E-04 4.89937556219E-04 5.06623003107E-04 5.23875218829E-04 5.41713426203E-04 5.60157499242E-04 5.79227985176E-04 5.98946127225E-04 6.19333888137E-04 6.40413974519E-04 6.62209861986E-04 6.84745821168E-04 7.08046944580E-04 7.32139174410E-04 7.57049331232E-04 7.82805143694E-04 8.09435279207E-04 8.36969375658E-04 8.65438074200E-04 8.94873053144E-04 9.25307062985E-04 9.56773962612E-04 9.89308756738E-04 1.02294763458E-03 1.05772800985E-03 1.09368856208E-03 1.13086927933E-03 1.16931150236E-03 1.20905797024E-03 1.25015286755E-03 1.29264187307E-03 1.33657221023E-03 1.38199269913E-03 1.42895381037E-03 1.47750772067E-03 1.52770837037E-03 1.57961152279E-03 1.63327482568E-03 1.68875787459E-03 1.74612227852E-03 1.80543172760E-03 1.86675206316E-03 1.93015135006E-03 1.99569995145E-03 2.06347060606E-03 2.13353850801E-03 2.20598138929E-03 2.28087960505E-03 2.35831622160E-03 2.43837710747E-03 2.52115102739E-03 2.60672973948E-03 2.69520809553E-03 2.78668414476E-03 2.88125924093E-03 2.97903815298E-03 3.08012917935E-03 3.18464426611E-03 3.29269912895E-03 3.40441337916E-03 3.51991065384E-03 3.63931875032E-03 3.76276976506E-03 3.89040023704E-03 4.02235129591E-03 4.15876881499E-03 4.29980356924E-03 4.44561139841E-03 4.59635337550E-03 4.75219598079E-03 4.91331128138E-03 5.07987711672E-03 5.25207729008E-03 5.43010176621E-03 5.61414687547E-03 5.80441552446E-03 6.00111741350E-03 6.20446926113E-03 6.41469503572E-03 6.63202619463E-03 6.85670193092E-03 7.08896942801E-03 7.32908412243E-03 7.57730997489E-03 7.83391974998E-03 8.09919530477E-03 8.37342788637E-03 8.65691843905E-03 8.94997792085E-03 9.25292763016E-03 9.56609954253E-03 9.88983665787E-03 1.02244933585E-02 1.05704357784E-02 1.09280421834E-02 1.12977033634E-02 1.16798230370E-02 1.20748182672E-02 1.24831198911E-02 1.29051729618E-02 1.33414372040E-02 1.37923874827E-02 1.42585142864E-02 1.47403242246E-02 1.52383405398E-02 1.57531036346E-02 1.62851716141E-02 1.68351208442E-02 1.74035465262E-02 1.79910632873E-02 1.85983057883E-02 1.92259293487E-02 1.98746105890E-02 2.05450480907E-02 2.12379630753E-02 2.19541001011E-02 2.26942277794E-02 2.34591395099E-02 2.42496542357E-02 2.50666172178E-02 2.59109008307E-02 2.67834053775E-02 2.76850599267E-02 2.86168231690E-02 2.95796842966E-02 3.05746639030E-02 3.16028149048E-02 3.26652234856E-02 3.37630100616E-02 3.48973302690E-02 3.60693759743E-02 3.72803763063E-02 3.85315987100E-02 3.98243500230E-02 4.11599775737E-02 4.25398703013E-02 4.39654598971E-02 4.54382219674E-02 4.69596772169E-02 4.85313926525E-02 5.01549828067E-02 5.18321109810E-02 5.35644905063E-02 5.53538860219E-02 5.72021147707E-02 5.91110479098E-02 6.10826118348E-02 6.31187895179E-02 6.52216218560E-02 6.73932090291E-02 6.96357118659E-02 7.19513532143E-02 7.43424193159E-02 7.68112611804E-02 7.93602959570E-02 8.19920083018E-02 8.47089517345E-02 8.75137499842E-02 9.04090983171E-02 9.33977648444E-02 9.64825918031E-02 9.96664968068E-02 1.02952474059E-01 1.06343595525E-01 1.09843012051E-01 1.13453954430E-01 1.17179734401E-01 1.21023745576E-01 1.24989464282E-01 1.29080450318E-01 1.33300347596E-01 1.37652884681E-01 1.42141875195E-01 1.46771218080E-01 1.51544897707E-01 1.56466983815E-01 1.61541631254E-01 1.66773079521E-01 1.72165652074E-01 1.77723755380E-01 1.83451877704E-01 1.89354587581E-01 1.95436531969E-01 2.01702434035E-01 2.08157090544E-01 2.14805368829E-01 2.21652203276E-01 2.28702591304E-01 2.35961588790E-01 2.43434304873E-01 2.51125896105E-01 2.59041559871E-01 2.67186527029E-01 2.75566053687E-01 2.84185412054E-01 2.93049880272E-01 3.02164731156E-01 3.11535219731E-01 3.21166569477E-01 3.31063957166E-01 3.41232496179E-01 3.51677218165E-01 3.62403052928E-01 3.73414806373E-01 3.84717136385E-01 3.96314526463E-01 4.08211256939E-01 4.20411373618E-01 4.32918653633E-01 4.45736568345E-01 4.58868243064E-01 4.72316413410E-01 4.86083378079E-01 5.00170947844E-01 5.14580390537E-01 5.29312371851E-01 5.44366891733E-01 5.59743216202E-01 5.75439804411E-01 5.91454230807E-01 6.07783102252E-01 6.24421970014E-01 6.41365236556E-01 6.58606057097E-01 6.76136235957E-01 6.93946117733E-01 7.12024473431E-01 7.30358381683E-01 7.48933105253E-01 7.67731963056E-01 7.86736197951E-01 8.05924840582E-01 8.25274569511E-01 8.44759567881E-01 8.64351376745E-01 8.84018745091E-01 9.03727476410E-01 9.23440271409E-01 9.43116566159E-01 9.62712364532E-01 9.82180063304E-01 1.00146826767E+00 1.02052159415E+00 1.03928045718E+00 1.05768083448E+00 1.07565400560E+00 1.09312625677E+00 1.11001854419E+00 1.12624610712E+00 1.14171802097E+00 1.15633668084E+00 1.16999720547E+00 1.18258675297E+00 1.19398374169E+00 1.20405697310E+00 1.21266465952E+00 1.21965336749E+00 1.22485689951E+00 1.22809515252E+00 1.22917301215E+00 1.22787936865E+00 1.22398637358E+00 1.21724909781E+00 1.20740579980E+00 1.19417907049E+00 1.17727818419E+00 1.15640305286E+00 1.13125024831E+00 1.10152161612E+00 1.06693604563E+00 1.02724496558E+00 9.82252083919E-01 9.31837755558E-01 8.75988109373E-01 8.14828657820E-01 7.48661508810E-01 6.78004463442E-01 6.03629189476E-01 5.26594305264E-01 4.48267622150E-01 3.70330049006E-01 2.94751883441E-01 2.23730563645E-01 1.59577605934E-01 1.04541527149E-01 6.05530206932E-02 2.88782206752E-02 9.66486535902E-03 1.36347023161E-03 1.63139190888E-14 -2.77903684072E-17 -3.80137209912E-17 -6.56204374439E-17 -1.66327037526E-17 -1.44793979612E-18 2.07629201032E-17 -6.27043024660E-17 3.00706233435E-18 -9.88168457915E-19 1.37475813034E-17 -1.20966889464E-17 -7.63564614570E-17 -7.72971959095E-18 1.43034738619E-18 2 Number of nonzero Dij 1 1 6.93574338831E+00 2 2 3.31472926425E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.00000000000E-01 2 9.00000000000E-01 3 9.00000000000E-01 1 1 0 i j (l(j)) 0.00000000000E+00 Q_int 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 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 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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