Generated using Vanderbilt code, version 7 3 5 Author: unknown Generation date: 20 6 2004 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5D 5 2 7.00 10.00000000000 2.20000000000 -0.34999652034 6S 6 0 1.00 10.00000000000 2.26000000000 -0.40377623222 6P 6 1 0.00 10.00000000000 2.50000000000 -0.07722211276 0 Version Number Os Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 8.00000000000 Z valence -66.17381542162 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 983 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 7.00 6S 0 1.00 6P 1 0.00 0.00000000000E+00 2.01649862979E-07 4.06688720177E-07 6.15173528151E-07 8.27162200689E-07 1.04271362490E-06 1.26188767755E-06 1.48474524175E-06 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1.25794806400E+00 1.17308321963E+00 1.04821559656E+00 8.99498129420E-01 7.87449783883E-01 7.36815671708E-01 6.74976661276E-01 5.97222976235E-01 5.06876077671E-01 4.07682710037E-01 3.04386657443E-01 2.03207659925E-01 1.11699461270E-01 3.93496302260E-02 -2.49234593502E-03 -1.10216363111E-04 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 7.40905215702E-01 1 2 2.02092452063E+00 2 2 -1.98273797700E-01 3 3 2.49208385029E-01 3 4 -8.64373201614E-01 4 4 4.07170480076E+00 5 5 4.62752776548E+00 5 6 1.56589620381E+00 6 6 3.00641265738E-01 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 1.00000000000E+00 5 1.00000000000E+00 1 1 0 i j (l(j)) -6.11068266539E-01 Q_int 0.00000000000E+00 -7.18735809421E-14 -2.92346349248E-13 -6.68911555314E-13 -1.20935771826E-12 -1.92177932792E-12 -2.81458792126E-12 -3.89652354607E-12 -5.17666662531E-12 -6.66445023579E-12 -8.36967281557E-12 -1.03025113147E-11 -1.24735348048E-11 -1.48937185624E-11 -1.75744586440E-11 -2.05275869677E-11 -2.37653869206E-11 -2.73006095083E-11 -3.11464900670E-11 -3.53167655562E-11 -3.98256924519E-11 -4.46880652614E-11 -4.99192356816E-11 -5.55351324212E-11 -6.15522817107E-11 -6.79878285243E-11 -7.48595585366E-11 -8.21859208402E-11 -8.99860514508E-11 -9.82797976250E-11 -1.07087743021E-10 -1.16431233729E-10 -1.26332405200E-10 -1.36814210113E-10 -1.47900447195E-10 -1.59615791042E-10 -1.71985822973E-10 -1.85037062946E-10 -1.98797002572E-10 -2.13294139275E-10 -2.28558011627E-10 -2.44619235903E-10 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