Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.10000000000 -1.01756261814 2P 2 1 2.00 10.00000000000 1.10000000000 -0.39565197457 0 Version Number C Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ B88 P86 BP Exchange-Correlation functional 4.00000000000 Z valence -10.76157877918 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 721 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 2.00 0.00000000000E+00 7.06180151333E-06 1.42443146680E-05 2.15496028610E-05 2.89797647603E-05 3.65369349077E-05 4.42232843318E-05 5.20410211722E-05 5.99923913133E-05 6.80796790299E-05 7.63052076433E-05 8.46713401887E-05 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-7.22176045734E-01 -7.54286246694E-01 -7.66922058961E-01 -7.58187465521E-01 -7.26727542798E-01 -6.71918170574E-01 -5.94072494758E-01 -4.94657243709E-01 -3.76508421794E-01 -2.44031479778E-01 -1.03365738102E-01 3.75133518128E-02 1.68787446149E-01 2.78924718962E-01 3.54993255160E-01 3.83212178768E-01 3.49797396890E-01 2.42156695352E-01 5.04778294590E-02 -2.30272142659E-01 -5.97965458426E-01 -1.04065971512E+00 -1.53390962155E+00 -2.03848103875E+00 -2.49920152988E+00 -2.84611922946E+00 -2.99977511037E+00 -2.88328086551E+00 -2.44477303959E+00 -1.69745370529E+00 -7.80285858333E-01 -9.41101791267E-02 8.26929630481E-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 6 Number of nonzero Dij 1 1 -1.44268948514E+00 1 2 6.70838308717E+00 2 2 -7.34225029300E+00 3 3 3.36559714276E+01 3 4 -2.72486139918E+01 4 4 2.18200755036E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -6.12408648886E-01 Q_int 0.00000000000E+00 -8.80212378022E-10 -3.58129070856E-09 -8.19662373424E-09 -1.48233433525E-08 -2.35624626196E-08 -3.45190186653E-08 -4.78022206908E-08 -6.35256032276E-08 -8.18071848414E-08 -1.02769632471E-07 -1.26540431602E-07 -1.53252062471E-07 -1.83042182527E-07 -2.16053815349E-07 -2.52435546262E-07 -2.92341724876E-07 -3.35932674790E-07 -3.83374910720E-07 -4.34841363300E-07 -4.90511611823E-07 -5.50572125213E-07 -6.15216511498E-07 -6.84645776095E-07 -7.59068589199E-07 -8.38701562610E-07 -9.23769536316E-07 -1.01450587517E-06 -1.11115277604E-06 -1.21396158572E-06 -1.32319313012E-06 -1.43911805493E-06 -1.56201717838E-06 -1.69218185632E-06 -1.82991436016E-06 -1.97552826808E-06 -2.12934887005E-06 -2.29171358693E-06 -2.46297240445E-06 -2.64348832229E-06 -2.83363781898E-06 -3.03381133307E-06 -3.24441376121E-06 -3.46586497368E-06 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