Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Author: ADC Generation date: 1Apr2010 Pseudopotential type: PAW Element: Fe Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 38. Ry Suggested minimum cutoff for charge density: 235. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 1.70 1.700 2.200 -0.363845 4P 2 1 0.00 1.900 2.200 -0.088057 4P 2 1 0.00 1.900 2.200 -0.085228 3D 3 2 4.00 1.500 1.800 -0.463870 3D 3 2 2.30 1.500 1.800 -0.453080 Generation configuration: 4S 1 0 1.70 1.700 2.200 -0.363844 4S 1 0 0.00 1.500 2.200 2.300000 4P 2 1 0.00 1.900 2.200 -0.088058 4P 2 1 0.00 1.900 2.200 -0.085227 4P 2 1 0.00 1.500 2.200 2.500000 4P 2 1 0.00 1.500 2.200 2.500000 3D 3 2 4.00 1.500 1.800 -0.463869 3D 3 2 2.30 1.500 1.800 -0.453078 3D 3 2 0.00 0.700 1.800 -0.300000 3D 3 2 0.00 0.700 1.800 -0.300000 Pseudization used: troullier-martins 3.507238329055831E-005 3.551353956419316E-005 3.596024490063778E-005 3.641256909850976E-005 3.687058283438537E-005 3.733435767384265E-005 3.780396608264379E-005 3.827948143805812E-005 3.876097804032732E-005 3.924853112427518E-005 3.974221687106296E-005 4.024211242009302E-005 4.074829588106192E-005 4.126084634616526E-005 4.177984390245606E-005 4.230536964435839E-005 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