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 2.50000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5D 5 2 6.00 10.00000000000 2.20000000000 -0.29841888600 6S 6 0 1.00 10.00000000000 2.26000000000 -0.39374568500 6P 6 1 0.00 10.00000000000 2.50000000000 -0.08245806000 0 Version Number re Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 7.00000000000 Z valence -59.32358381890 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 981 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 6.00 6S 0 1.00 6P 1 0.00 0.00000000000E+00 2.04338527818E-07 4.12111236446E-07 6.23375841860E-07 8.38191030032E-07 1.05661647323E-06 1.27871284659E-06 1.50454184497E-06 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4.35586710261E-01 1.10476822972E-02 -9.80126336203E-05 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 2.54299460049E+00 1 2 1.44244470223E+00 2 2 -4.56251089988E-01 3 3 1.74771987970E-01 3 4 -1.02016786183E+00 4 4 3.10932178388E+00 5 5 -7.56768385526E-02 5 6 -1.06139184701E+00 6 6 1.50939109891E+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 1.00000000000E+00 5 1.00000000000E+00 1 1 0 i j (l(j)) -2.59849835033E-01 Q_int 0.00000000000E+00 -1.61264640393E-13 -6.55945178514E-13 -1.50085441699E-12 -2.71346766064E-12 -4.31194672879E-12 -6.31516480776E-12 -8.74273217222E-12 -1.16150228055E-11 -1.49532019497E-11 -1.87792546176E-11 -2.31160150991E-11 -2.79871974975E-11 -3.34174273292E-11 -3.94322742250E-11 -4.60582857705E-11 -5.33230225232E-11 -6.12550942496E-11 -6.98841974210E-11 -7.92411540137E-11 -8.93579516571E-11 -1.00267785176E-10 -1.12005099575E-10 -1.24605634517E-10 -1.38106470338E-10 -1.52546075668E-10 -1.67964356690E-10 -1.84402708120E-10 -2.01904065936E-10 -2.20512961950E-10 -2.40275580256E-10 -2.61239815635E-10 -2.83455333985E-10 -3.06973634828E-10 -3.31848115994E-10 -3.58134140524E-10 -3.85889105894E-10 -4.15172515628E-10 -4.46046053375E-10 -4.78573659555E-10 -5.12821610637E-10 -5.48858601161E-10 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