Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: Dario Alfe' Generation date: 2Oct2006 Ir 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0 2.6000000E+00 L component and cutoff radius for Local Potential nl pn l occ Rcut Rcut US E pseu 5D 3 2 7.00 2.10000000000 2.40000000000 -0.52531113155 5D 3 2 0.00 2.10000000000 2.40000000000 -0.20000000000 6P 2 1 0.00 2.40000000000 2.40000000000 -0.08937126301 6S 1 0 2.00 2.60000000000 2.60000000000 -0.46531459893 0 Version Number Ir Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 9.00000000000 Z valence -40.76791232484 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1277 Number of points in mesh 3 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 7.00 6P 1 0.00 6S 0 2.00 1.18426229293E-05 1.19915847879E-05 1.21424203561E-05 1.22951532021E-05 1.24498071908E-05 1.26064064873E-05 1.27649755604E-05 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