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 -1.00978244769 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 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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0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6 Number of nonzero Dij 1 1 -1.44287863738E+00 1 2 6.75961063738E+00 2 2 -7.47140686829E+00 3 3 3.37063844420E+01 3 4 -2.71058446308E+01 4 4 2.15532715262E+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)) -6.12079541214E-01 Q_int 0.00000000000E+00 -8.77530684533E-10 -3.57037979182E-09 -8.17165154226E-09 -1.47781819071E-08 -2.34906761917E-08 -3.44138515151E-08 -4.76565843572E-08 -6.33320633501E-08 -8.15579474992E-08 -1.02456530021E-07 -1.26154907998E-07 -1.52785158047E-07 -1.82484518223E-07 -2.15395576365E-07 -2.51666465111E-07 -2.91451063822E-07 -3.34909207649E-07 -3.82206903999E-07 -4.33516556644E-07 -4.89017197767E-07 -5.48894728186E-07 -6.13342166076E-07 -6.82559904461E-07 -7.56755977794E-07 -8.36146337937E-07 -9.20955139869E-07 -1.01141503747E-06 -1.10776748971E-06 -1.21026307763E-06 -1.31916183249E-06 -1.43473357543E-06 -1.55725826913E-06 -1.68702638176E-06 -1.82433926384E-06 -1.96950953819E-06 -2.12286150372E-06 -2.28473155332E-06 -2.45546860642E-06 -2.63543455678E-06 -2.82500473592E-06 -3.02456839289E-06 -3.23452919076E-06 -3.45530572061E-06 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