Generated using Vanderbilt code, version 7 3 4 Author: Bernd Meyer Generation date: 11 2 2003 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 -1.00978244769 2P 2 1 2.00 10.00000000000 1.10000000000 -0.38870429969 0 Version Number C Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 4.00000000000 Z valence -10.72515811861 Total energy 25.000000 100.0000000 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 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-6.76462360278E-01 -7.25673790737E-01 -7.57662720911E-01 -7.70160655202E-01 -7.61271662436E-01 -7.29641308727E-01 -6.74646430189E-01 -5.96601653026E-01 -4.96975759364E-01 -3.78607415855E-01 -2.45905360449E-01 -1.05012814809E-01 3.60902990527E-02 1.67580684109E-01 2.77921216311E-01 3.54174535488E-01 3.82554436366E-01 3.49271950358E-01 2.41730848085E-01 5.01162160420E-02 -2.30605677483E-01 -5.98305401225E-01 -1.04103586162E+00 -1.53434355770E+00 -2.03898229493E+00 -2.49976372726E+00 -2.84671673271E+00 -3.00036118149E+00 -2.88381537214E+00 -2.44521121055E+00 -1.69775121893E+00 -7.80420357066E-01 -9.41253111710E-02 8.27019583695E-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 -1.44171806816E+00 1 2 6.75909299288E+00 2 2 -7.47256743800E+00 3 3 3.37063862240E+01 3 4 -2.71058442752E+01 4 4 2.15532698148E+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)) -6.12013833402E-01 Q_int 0.00000000000E+00 -8.77389752088E-10 -3.56980638469E-09 -8.17033916555E-09 -1.47758085139E-08 -2.34869035618E-08 -3.44083246107E-08 -4.76489306545E-08 -6.33218921474E-08 -8.15448491984E-08 -1.02440075384E-07 -1.26134647373E-07 -1.52760620573E-07 -1.82455210998E-07 -2.15360983587E-07 -2.51626047186E-07 -2.91404256444E-07 -3.34855420843E-07 -3.82145521128E-07 -4.33446933384E-07 -4.88938661040E-07 -5.48806575058E-07 -6.13243662615E-07 -6.82450284552E-07 -7.56634441910E-07 -8.36012051870E-07 -9.20807233412E-07 -1.01125260305E-06 -1.10758958097E-06 -1.21006870799E-06 -1.31894997358E-06 -1.43450315557E-06 -1.55700817166E-06 -1.68675544339E-06 -1.82404627286E-06 -1.96919323270E-06 -2.12252056973E-06 -2.28436462281E-06 -2.45507425535E-06 -2.63501130297E-06 -2.82455103693E-06 -3.02408264375E-06 -3.23400972168E-06 -3.45475079457E-06 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