Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 1 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.44000000000 -9.60941084200 3P 3 1 6.00 0.00000000000 1.55000000000 -6.69550237500 3D 3 2 8.00 0.00000000000 1.50000000000 -2.08482978100 4S 4 0 0.00 0.00000000000 1.44000000000 -1.59107856400 4P 4 1 0.00 0.00000000000 1.55000000000 -1.10274995100 0 Version Number Ni Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 18.00000000000 Z valence -340.79676105500 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 865 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 3D 2 8.00 4S 0 0.00 4P 1 0.00 0.00000000000E+00 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-2.16808008345E+00 -2.11674275979E+00 -1.72902522258E+00 -9.92161928260E-01 -2.07810438452E-01 1.38265224889E-02 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 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 9 Number of nonzero Dij 1 1 -1.30865721120E+00 1 2 -8.88137555576E-01 2 2 3.99081739341E+00 3 3 1.53810539424E+01 3 4 -2.58263095426E+01 4 4 4.04846536745E+01 5 5 6.59071259279E+01 5 6 6.82458386013E+01 6 6 7.04904877454E+01 10 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.80000000000E-01 2 9.80000000000E-01 3 9.80000000000E-01 4 9.80000000000E-01 5 9.80000000000E-01 1 1 0 i j (l(j)) 1.19798887044E-01 Q_int 0.00000000000E+00 -1.48582935763E-11 -6.04534429343E-11 -1.38361882921E-10 -2.50223234254E-10 -3.97742633085E-10 -5.82693143477E-10 -8.06918255679E-10 -1.07233447321E-09 -1.38093399186E-09 -1.73478747382E-09 -2.13604692029E-09 -2.58694864593E-09 -3.08981635888E-09 -3.64706434981E-09 -4.26120079402E-09 -4.93483117041E-09 -5.67066180146E-09 -6.47150351843E-09 -7.34027545613E-09 -8.28000898181E-09 -9.29385176288E-09 -1.03850719782E-08 -1.15570626780E-08 -1.28133462980E-08 -1.41575793317E-08 -1.55935571689E-08 -1.71252191036E-08 -1.87566535183E-08 -2.04921032519E-08 -2.23359711554E-08 -2.42928258435E-08 -2.63674076489E-08 -2.85646347856E-08 -3.08896097286E-08 -3.33476258185E-08 -3.59441740976E-08 -3.86849503858E-08 -4.15758626061E-08 -4.46230383654E-08 -4.78328328030E-08 -5.12118367135E-08 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