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 -1.36393068723 2P 2 1 3.00 10.00000000000 1.10000000000 -0.52143879723 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 5.00000000000 Z valence -19.30116713810 Total energy 25.000000 100.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 729 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 3.00 0.00000000000E+00 6.05297272571E-06 1.22094125726E-05 1.84710881666E-05 2.48397983660E-05 3.13173727780E-05 3.79056722844E-05 4.46065895761E-05 5.14220496971E-05 5.83540105970E-05 6.54044636943E-05 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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 -1.49214361607E-01 1 2 4.31236066659E+00 2 2 -5.35624706031E+00 3 3 4.27539357110E+01 3 4 -4.04351386580E+01 4 4 3.79594642273E+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)) -5.04306675835E-01 Q_int 0.00000000000E+00 -6.14938743154E-10 -2.50198072939E-09 -5.72636970972E-09 -1.03559644995E-08 -1.64613353913E-08 -2.41158639997E-08 -3.33958466558E-08 -4.43806014785E-08 -5.71525792493E-08 -7.17974782240E-08 -8.84043630196E-08 -1.07065787718E-07 -1.27877923336E-07 -1.50940689809E-07 -1.76357892654E-07 -2.04237364471E-07 -2.34691111444E-07 -2.67835465037E-07 -3.03791239041E-07 -3.42683892182E-07 -3.84643696461E-07 -4.29805911454E-07 -4.78310964744E-07 -5.30304638741E-07 -5.85938264072E-07 -6.45368919799E-07 -7.08759640690E-07 -7.76279631791E-07 -8.48104490554E-07 -9.24416436784E-07 -1.00540455068E-06 -1.09126501923E-06 -1.18220139132E-06 -1.27842484175E-06 -1.38015444456E-06 -1.48761745594E-06 -1.60104960712E-06 -1.72069540746E-06 -1.84680845828E-06 -1.97965177760E-06 -2.11949813631E-06 -2.26663040618E-06 -2.42134191998E-06 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