Generated using Vanderbilt code, version 7 0 0 Author: unknown Generation date: 0 0 0 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.21588953100E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 5.00 10.00000000000 1.60000000000 -0.27935308600 5S 5 0 1.00 10.00000000000 2.22000000000 -0.30417286300 5P 5 1 0.00 10.00000000000 2.50000000000 -0.08011536700 0 Version Number Mo Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 6.00000000000 Z valence -28.49089232150 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 965 Number of points in mesh 3 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 5.00 5S 0 1.00 5P 1 0.00 0.00000000000E+00 3.64890228247E-07 7.35912922225E-07 1.11317114618E-06 1.49676969648E-06 1.88681513076E-06 2.28341579748E-06 2.68668186602E-06 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1.43847437359E-05 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 4 Number of nonzero Dij 1 1 1.84906816552E+00 2 2 -6.60502051904E+00 2 3 -2.07700120891E+00 3 3 -3.50305086408E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.00000000000E+00 2 1.00000000000E+00 3 1.00000000000E+00 4 1.20000000000E+00 5 1.20000000000E+00 1 1 1 i j (l(j)) 6.29971117497E-01 Q_int 0.00000000000E+00 -3.64258955422E-13 -1.48162613303E-12 -3.39007770605E-12 -6.12908628459E-12 -9.73967515385E-12 -1.42644744100E-11 -1.97477790586E-11 -2.62356091439E-11 -3.37757719778E-11 -4.24179265415E-11 -5.22136501341E-11 -6.32165073463E-11 -7.54821214370E-11 -8.90682481980E-11 -1.04034852391E-10 -1.20444186843E-10 -1.38360874299E-10 -1.57851992114E-10 -1.78987159893E-10 -2.01838630182E-10 -2.26481382292E-10 -2.52993219402E-10 -2.81454869014E-10 -3.11950086904E-10 -3.44565764668E-10 -3.79392041006E-10 -4.16522416856E-10 -4.56053874513E-10 -4.98087000881E-10 -5.42726114980E-10 -5.90079399874E-10 -6.40259039159E-10 -6.93381358165E-10 -7.49566970044E-10 -8.08940926904E-10 -8.71632876165E-10 -9.37777222307E-10 -1.00751329421E-09 -1.08098551826E-09 -1.15834359744E-09 -1.23974269657E-09 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