Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: Fe PBE 3d7 4s1 RRKJ3 US 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4S 1 0 1.00 2.00000000000 2.20000000000 0.00000000000 4S 1 0 0.00 2.00000000000 2.20000000000 0.00000000000 4P 2 1 0.00 2.20000000000 2.30000000000 0.00000000000 4P 2 1 0.00 2.20000000000 2.30000000000 0.00000000000 3D 3 2 7.00 1.60000000000 2.20000000000 0.00000000000 3D 3 2 0.00 1.60000000000 2.20000000000 0.00000000000 0 Version Number Fe Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 8.00000000000 Z valence -41.33521037600 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 957 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 1.00 3D 2 7.00 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