Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 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 -9.58521899600 3P 3 1 6.00 0.00000000000 1.55000000000 -6.68242642800 3D 3 2 8.00 0.00000000000 1.50000000000 -2.08294906300 4S 4 0 0.00 0.00000000000 1.44000000000 -1.57637447400 4P 4 1 0.00 0.00000000000 1.55000000000 -1.08646370600 0 Version Number Ni Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 18.00000000000 Z valence -340.56066742500 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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-2.16715842465E+00 -2.11600195075E+00 -1.72852654781E+00 -9.91933954342E-01 -2.07806740744E-01 1.38096830841E-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 -1.30187618281E+00 1 2 -8.68100445201E-01 2 2 3.92203471954E+00 3 3 1.53606982943E+01 3 4 -2.57819948872E+01 4 4 4.04002985789E+01 5 5 6.59363906518E+01 5 6 6.82501501660E+01 6 6 7.04656619419E+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)) 1.17892170915E-01 Q_int 0.00000000000E+00 -1.48283537615E-11 -6.03316278095E-11 -1.38083080438E-10 -2.49719028488E-10 -3.96941172223E-10 -5.81519002940E-10 -8.05292296212E-10 -1.07017369376E-09 -1.37815137704E-09 -1.73129183583E-09 -2.13174273498E-09 -2.58173588293E-09 -3.08359030550E-09 -3.63971542849E-09 -4.25261437318E-09 -4.92488736836E-09 -5.65923528323E-09 -6.45846328514E-09 -7.32548462677E-09 -8.26332456711E-09 -9.27512443094E-09 -1.03641458117E-08 -1.15337749225E-08 -1.27875271012E-08 -1.41290514735E-08 -1.55621357814E-08 -1.70907113810E-08 -1.87188584169E-08 -2.04508111783E-08 -2.22909636444E-08 -2.42438752241E-08 -2.63142766983E-08 -2.85070763705E-08 -3.08273664342E-08 -3.32804295639E-08 -3.58717457371E-08 -3.86069992967E-08 -4.14920862610E-08 -4.45331218897E-08 -4.77364485164E-08 -5.11086436549E-08 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