Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: Matteo Calandra Generation date: 11Feb2009 Pseudopotential type: NC Element: Fe Functional: PBE Suggested minimum cutoff for wavefunctions: 120-150 Ry Suggested minimum cutoff for charge density: 0. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.1000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 1.100 1.100 -10.110498 3P 2 1 6.00 1.100 1.100 -7.605520 4P 3 1 0.00 2.459 2.459 -1.811838 3D 3 2 6.00 0.722 0.722 -3.338310 4D 4 2 0.00 3.361 3.361 -1.069882 Generation configuration: 3S 1 0 2.00 1.100 1.100 -10.110479 3P 2 1 6.00 1.100 1.100 -7.605482 3D 3 2 6.00 1.100 1.100 -3.338298 Pseudization used: troullier-martins 3.507238329055831E-005 3.551353956419316E-005 3.596024490063778E-005 3.641256909850977E-005 3.687058283438538E-005 3.733435767384265E-005 3.780396608264379E-005 3.827948143805812E-005 3.876097804032732E-005 3.924853112427518E-005 3.974221687106296E-005 4.024211242009302E-005 4.074829588106193E-005 4.126084634616526E-005 4.177984390245608E-005 4.230536964435839E-005 4.283750568633858E-005 4.337633517573586E-005 4.392194230575413E-005 4.447441232861761E-005 4.503383156889132E-005 4.560028743696972E-005 4.617386844273465E-005 4.675466420938518E-005 4.734276548744158E-005 4.793826416892498E-005 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