Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.30000000000 -2.18435596800 2P 2 1 5.00 0.00000000000 1.40000000000 -0.81230965700 0 Version Number F Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 7.00000000000 Z valence -48.21181286210 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 799 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 5.00 0.00000000000E+00 4.70786767555E-06 9.49620977865E-06 1.43664019073E-05 1.93198431735E-05 2.43579566051E-05 2.94821895545E-05 3.46940141148E-05 3.99949275422E-05 4.53864526866E-05 5.08701384289E-05 5.64475601258E-05 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2.58074349915E-03 2.67077559089E-03 2.76394319596E-03 2.86035501538E-03 2.96012402798E-03 3.06336843040E-03 3.17020886498E-03 3.28077217666E-03 3.39518669176E-03 3.51358937000E-03 3.63611843851E-03 3.76291894782E-03 3.89413996437E-03 4.02993764242E-03 4.17047101341E-03 4.31590684895E-03 4.46641744837E-03 4.62218133810E-03 4.78338126237E-03 4.95021055063E-03 5.12286600230E-03 5.30155270997E-03 5.48648259126E-03 5.67787699502E-03 5.87596238375E-03 6.08097509636E-03 6.29315996077E-03 6.51277026754E-03 6.74006712532E-03 6.97532453366E-03 7.21882276475E-03 7.47085313600E-03 7.73172015391E-03 8.00173440202E-03 8.28122248027E-03 8.57052081591E-03 8.86997683871E-03 9.17995340723E-03 9.50082496190E-03 9.83297806217E-03 1.01768174300E-02 1.05327587537E-02 1.09012359231E-02 1.12826958309E-02 1.16776044086E-02 1.20864425678E-02 1.25097127306E-02 1.29479285597E-02 1.34016326619E-02 1.38713782557E-02 1.43577459223E-02 1.48613341575E-02 1.53827642204E-02 1.59226829006E-02 1.64817564431E-02 1.70606829227E-02 1.76601778092E-02 1.82809920361E-02 1.89238982950E-02 1.95897023004E-02 2.02792378068E-02 2.09933701735E-02 2.17330001384E-02 2.24990581635E-02 2.32925130569E-02 2.41143695897E-02 2.49656695683E-02 2.58474957690E-02 2.67609709639E-02 2.77072616464E-02 2.86875767281E-02 2.97031737567E-02 3.07553554217E-02 3.18454763401E-02 3.29749401460E-02 3.41452062834E-02 3.53577876569E-02 3.66142566397E-02 3.79162420835E-02 3.92654382998E-02 4.06636010650E-02 4.21125537995E-02 4.36141878100E-02 4.51704656102E-02 4.67834242084E-02 4.84551751677E-02 5.01879115344E-02 5.19839021669E-02 5.38455073705E-02 5.57751669251E-02 5.77754147353E-02 5.98488730819E-02 6.19982610308E-02 6.42263946106E-02 6.65361875836E-02 6.89306587991E-02 7.14129289406E-02 7.39862279905E-02 7.66538935038E-02 7.94193757918E-02 8.22862369305E-02 8.52581539493E-02 8.83389208178E-02 9.15324479850E-02 9.48427627349E-02 9.82740127050E-02 1.01830460394E-01 1.05516486259E-01 1.09336587385E-01 1.13295372211E-01 1.17397559683E-01 1.21647974641E-01 1.26051544847E-01 1.30613289886E-01 1.35338320487E-01 1.40231823088E-01 1.45299053825E-01 1.50545325026E-01 1.55975990998E-01 1.61596429639E-01 1.67412030469E-01 1.73428163352E-01 1.79650164028E-01 1.86083303093E-01 1.92732751712E-01 1.99603558453E-01 2.06700596902E-01 2.14028538882E-01 2.21591794808E-01 2.29394470031E-01 2.37440307943E-01 2.45732621546E-01 2.54274233859E-01 2.63067398290E-01 2.72113717072E-01 2.81414059839E-01 2.90968460524E-01 3.00776022370E-01 3.10834802312E-01 3.21141698362E-01 3.31692318692E-01 3.42480853986E-01 3.53499930715E-01 3.64740464947E-01 3.76191507687E-01 3.87840076400E-01 3.99670993488E-01 4.11666705576E-01 4.23807110869E-01 4.36069375970E-01 4.48427756666E-01 4.60853419651E-01 4.73314269313E-01 4.85774777058E-01 4.98195835069E-01 5.10534607580E-01 5.22744418577E-01 5.34774657567E-01 5.46570716281E-01 5.58073972352E-01 5.69221807516E-01 5.79947693846E-01 5.90181329796E-01 5.99848861970E-01 6.08873180590E-01 6.17174310290E-01 6.24669905100E-01 6.31275859085E-01 6.36907028396E-01 6.41478100171E-01 6.44904583065E-01 6.47103952962E-01 6.47996927380E-01 6.47508896798E-01 6.45571466144E-01 6.42124133233E-01 6.37116038972E-01 6.30507790850E-01 6.22273287244E-01 6.12401494323E-01 6.00898100854E-01 5.87786941094E-01 5.73111084964E-01 5.56933439965E-01 5.39336712983E-01 5.20422523914E-01 5.00309476613E-01 4.79129915816E-01 4.57025136210E-01 4.34138751084E-01 4.10607935059E-01 3.86552285801E-01 3.62060047513E-01 3.37171527104E-01 3.11859603141E-01 2.86007404206E-01 2.59383400326E-01 2.31614456775E-01 2.02157769572E-01 1.70273054947E-01 1.34997012730E-01 9.51227827948E-02 4.91880635480E-02 -4.52343485278E-03 -6.79612596903E-02 -1.43261016952E-01 -2.32662065758E-01 -3.38380221285E-01 -4.62424471129E-01 -6.06346244076E-01 -7.70910150973E-01 -9.55677274366E-01 -1.15849656563E+00 -1.37490838903E+00 -1.59747817619E+00 -1.81510030638E+00 -2.01234587710E+00 -2.16897782934E+00 -2.25982902629E+00 -2.25534200634E+00 -2.12321429689E+00 -1.83179735232E+00 -1.38085952950E+00 -8.84302443557E-01 -4.00706046968E-01 -6.17844248390E-02 4.39661695596E-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 6 Number of nonzero Dij 1 1 3.33600689195E-01 1 2 -2.01795091030E-01 2 2 -6.88604955554E-02 3 3 1.01791869462E+01 3 4 1.24007793237E+01 4 4 1.46526107808E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.50000000000E-01 2 9.50000000000E-01 3 9.50000000000E-01 1 1 0 i j (l(j)) -1.54870501123E-01 Q_int 0.00000000000E+00 -1.96136148089E-10 -7.98012596142E-10 -1.82643899110E-09 -3.30305906092E-09 -5.25038136581E-09 -7.69181114376E-09 -1.06516832888E-08 -1.41552965015E-08 -1.82289486526E-08 -2.28999734031E-08 -2.81967781227E-08 -3.41488831549E-08 -4.07869624734E-08 -4.81428857789E-08 -5.62497620882E-08 -6.51419848656E-08 -7.48552787518E-08 -8.54267479454E-08 -9.68949262958E-08 -1.09299829165E-07 -1.22683007123E-07 -1.37087601538E-07 -1.52558402130E-07 -1.69141906553E-07 -1.86886382081E-07 -2.05841929466E-07 -2.26060549049E-07 -2.47596209198E-07 -2.70504917156E-07 -2.94844792385E-07 -3.20676142485E-07 -3.48061541795E-07 -3.77065912743E-07 -4.07756610068E-07 -4.40203507995E-07 -4.74479090471E-07 -5.10658544579E-07 -5.48819857218E-07 -5.89043915189E-07 -6.31414608781E-07 -6.76018938997E-07 -7.22947128541E-07 -7.72292736686E-07 -8.24152778178E-07 -8.78627846302E-07 -9.35822240250E-07 -9.95844096965E-07 -1.05880552758E-06 -1.12482275866E-06 -1.19401627833E-06 -1.26651098762E-06 -1.34243635693E-06 -1.42192658820E-06 -1.50512078249E-06 -1.59216311362E-06 -1.68320300778E-06 -1.77839532944E-06 -1.87790057370E-06 -1.98188506546E-06 -2.09052116543E-06 -2.20398748343E-06 -2.32246909901E-06 -2.44615778992E-06 -2.57525226838E-06 -2.70995842573E-06 -2.85048958554E-06 -2.99706676554E-06 -3.14991894869E-06 -3.30928336370E-06 -3.47540577531E-06 -3.64854078469E-06 -3.82895214030E-06 -4.01691305955E-06 -4.21270656170E-06 -4.41662581228E-06 -4.62897447959E-06 -4.85006710351E-06 -5.08022947716E-06 -5.31979904193E-06 -5.56912529606E-06 -5.82857021764E-06 -6.09850870214E-06 -6.37932901523E-06 -6.67143326135E-06 -6.97523786851E-06 -7.29117408998E-06 -7.61968852338E-06 -7.96124364780E-06 -8.31631837958E-06 -8.68540864742E-06 -9.06902798738E-06 -9.46770815862E-06 -9.88199978047E-06 -1.03124729916E-05 -1.07597181320E-05 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