Generated using Vanderbilt code, version 7 3 4 Author: CAMPOS Generation date: 9 12 2003 rinner=1.20, rpcor=1.0 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 10.00000000000 2.00000000000 -3.46341305400 3P 3 1 6.00 10.00000000000 2.20000000000 -2.06270274800 4S 4 0 2.00 10.00000000000 2.00000000000 -0.27907580300 3D 3 2 0.00 10.00000000000 2.40000000000 -0.14708541300 0 Version Number Ca Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 10.00000000000 Z valence -74.66087607390 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 845 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 4S 0 2.00 3D 2 0.00 0.00000000000E+00 2.11854045400E-06 4.27329440039E-06 6.46488085830E-06 8.69392942809E-06 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