Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 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 3D 3 2 9.50 10.00000000000 2.00000000000 -0.61086172213 4S 4 0 1.00 10.00000000000 2.10000000000 -0.44174304282 4P 4 1 0.50 10.00000000000 2.20000000000 -0.10882987029 0 Version Number Cu Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 11.00000000000 Z valence -121.17470326064 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 867 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3D 2 9.50 4S 0 1.00 4P 1 0.50 0.00000000000E+00 1.46106238207E-06 2.94709958648E-06 4.45853852296E-06 5.99581339868E-06 7.55936584296E-06 9.14964503416E-06 1.07671078287E-05 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-1.65435533126E+00 3 3 -8.61807733706E-01 3 4 3.02036416745E+00 4 4 -7.71219952811E-01 5 5 5.46240113417E+01 5 6 -6.15494680535E+01 6 6 6.90897493409E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.40000000000E+00 2 1.40000000000E+00 3 1.40000000000E+00 4 1.40000000000E+00 5 1.40000000000E+00 1 1 0 i j (l(j)) -6.02538302462E-01 Q_int 0.00000000000E+00 -7.31674075423E-13 -2.97693787963E-12 -6.81342055168E-12 -1.23218627242E-11 -1.95862312396E-11 -2.86938379493E-11 -3.97354627371E-11 -5.28054809172E-11 -6.80019951578E-11 -8.54269720892E-11 -1.05186383761E-10 -1.27390354116E-10 -1.52153310661E-10 -1.79594141507E-10 -2.09836357977E-10 -2.43008262970E-10 -2.79243125280E-10 -3.18679360087E-10 -3.61460715823E-10 -4.07736467649E-10 -4.57661617758E-10 -5.11397102764E-10 -5.69110008395E-10 -6.30973791779E-10 -6.97168511549E-10 -7.67881066084E-10 -8.43305440121E-10 -9.23642960077E-10 -1.00910255835E-09 -1.09990104691E-09 -1.19626340056E-09 -1.29842305013E-09 -1.40662218596E-09 -1.52111207210E-09 -1.64215337152E-09 -1.77001648277E-09 -1.90498188840E-09 -2.04734051572E-09 -2.19739411011E-09 -2.35545562149E-09 -2.52184960435E-09 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