Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 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 -9.57469478000 3P 3 1 6.00 0.00000000000 1.55000000000 -6.69209985100 3D 3 2 8.00 0.00000000000 1.50000000000 -2.10990127000 4S 4 0 0.00 0.00000000000 1.44000000000 -1.60529909600 4P 4 1 0.00 0.00000000000 1.55000000000 -1.10538948100 0 Version Number Ni Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 18.00000000000 Z valence -340.58876400600 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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5.10854049714E-01 4.53518274398E-01 3.87914165182E-01 3.13775398238E-01 2.31109309371E-01 1.40273217135E-01 4.20511483349E-02 -6.22754506057E-02 -1.70871776576E-01 -2.81319917321E-01 -3.90629378264E-01 -4.95304469732E-01 -5.91486836893E-01 -6.75191652151E-01 -7.42653659619E-01 -7.90792948967E-01 -8.17798271428E-01 -8.23805638856E-01 -8.11619577591E-01 -7.87381463527E-01 -7.61032569536E-01 -7.46349819515E-01 -7.60255459995E-01 -8.21032260261E-01 -9.45043163648E-01 -1.14161350730E+00 -1.40598232467E+00 -1.71083074088E+00 -1.99811956427E+00 -2.17525471004E+00 -2.12357597025E+00 -1.73447116655E+00 -9.95219128164E-01 -2.08437674224E-01 1.38220469602E-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 -1.30843242241E+00 1 2 -8.40055362715E-01 2 2 3.86258849935E+00 3 3 1.53401407264E+01 3 4 2.57580656355E+01 4 4 4.03657137458E+01 5 5 6.62475373135E+01 5 6 6.84534797981E+01 6 6 7.05530139796E+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)) 1.17129473128E-01 Q_int 0.00000000000E+00 -1.47350903328E-11 -5.99521700114E-11 -1.37214602269E-10 -2.48148412276E-10 -3.94444597397E-10 -5.77861519653E-10 -8.00227383285E-10 -1.06344280039E-09 -1.36948344770E-09 -1.72040281772E-09 -2.11833506749E-09 -2.56549796844E-09 -3.06419596077E-09 -3.61682331614E-09 -4.22586741234E-09 -4.89391212397E-09 -5.62364133298E-09 -6.41784256354E-09 -7.27941074535E-09 -8.21135210991E-09 -9.21678822454E-09 -1.02989601687E-08 -1.14612328580E-08 -1.27070995203E-08 -1.40401863301E-08 -1.54642572062E-08 -1.69832187782E-08 -1.86011255287E-08 -2.03221851151E-08 -2.21507638805E-08 -2.40913925573E-08 -2.61487721720E-08 -2.83277801571E-08 -3.06334766786E-08 -3.30711111855E-08 -3.56461291887E-08 -3.83641792793E-08 -4.12311203924E-08 -4.42530293255E-08 -4.74362085219E-08 -5.07871941261E-08 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