Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 3 2 2014 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5S 5 0 2.00 0.00000000000 1.45000000000 -5.87786794000 5P 5 1 6.00 0.00000000000 1.50000000000 -3.24146052300 5D 5 2 3.90 0.00000000000 1.70000000000 -0.38902219300 6S 6 0 2.00 0.00000000000 1.45000000000 -0.46971592100 6P 6 1 0.00 0.00000000000 1.50000000000 -0.13888875900 0 Version Number W Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 14.00000000000 Z valence -158.26726038400 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 3 Max angular momentum component 923 Number of points in mesh 5 8 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5S 0 2.00 5P 1 6.00 5D 2 3.90 6S 0 2.00 6P 1 0.00 0.00000000000E+00 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4.62603280835E-01 5.71196287253E-01 6.75006432398E-01 7.72126883880E-01 8.60584956674E-01 9.38391564646E-01 1.00360365159E+00 1.05440086367E+00 1.08917750229E+00 1.10665040147E+00 1.10598280942E+00 1.08692351679E+00 1.04995934532E+00 9.96477559925E-01 9.32214522018E-01 8.30608138720E-01 7.03309147791E-01 5.58481658722E-01 4.06345635691E-01 2.59268745500E-01 1.31655247636E-01 3.96454892486E-02 1.72946626215E-03 6.49275333284E-04 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 13 Number of nonzero Dij 1 1 -2.67174298137E+00 1 2 -2.56975645438E-01 1 3 1.33331803328E+00 2 2 -6.03093784613E+00 2 3 -5.35820637962E+00 3 3 -7.53674462494E+00 4 4 -3.51377250508E+00 4 5 -1.21630354481E+00 5 5 -1.44295753093E+00 6 6 -1.45933985611E+00 6 7 -5.33419212864E-01 7 7 1.94160213405E+00 8 8 2.92701868924E+00 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.35000000000E+00 2 1.35000000000E+00 3 1.35000000000E+00 4 1.35000000000E+00 5 1.35000000000E+00 6 1.35000000000E+00 7 1.35000000000E+00 1 1 0 i j (l(j)) -2.13784822386E-01 Q_int 0.00000000000E+00 -9.29389040198E-13 -3.78137415448E-12 -8.65456163801E-12 -1.56515100745E-11 -2.48788760512E-11 -3.64475650598E-11 -5.04728877640E-11 -6.70747218223E-11 -8.63776794604E-11 -1.08511280993E-10 -1.33610134508E-10 -1.61814121916E-10 -1.93268591610E-10 -2.28124557938E-10 -2.66538907753E-10 -3.08674614269E-10 -3.54700958487E-10 -4.04793758458E-10 -4.59135606642E-10 -5.17916115665E-10 -5.81332172753E-10 -6.49588203152E-10 -7.22896442848E-10 -8.01477220901E-10 -8.85559251746E-10 -9.75379937796E-10 -1.07118568271E-09 -1.17323221567E-09 -1.28178492716E-09 -1.39711921644E-09 -1.51952085134E-09 -1.64928634073E-09 -1.78672331994E-09 -1.93215094994E-09 -2.08590033036E-09 -2.24831492714E-09 -2.41975101512E-09 -2.60057813626E-09 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