Generated using FHI98PP, converted with fhi2upf.x v.5.0.2 Author: unknown Generation date: unknown Pseudopotential type: SL Element: Fe Functional: SLA-PW Suggested minimum cutoff for wavefunctions: 0. 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: 1 0.0000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3s 3 0 2.00 0.000 0.000 0.000000 4s 4 0 2.00 0.000 0.000 0.000000 3p 3 1 6.00 0.000 0.000 0.000000 3d 3 2 6.00 0.000 0.000 0.000000 Generation configuration: not available. Comment: iron, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder Perdew/Wang (1992), l 2.4038461538462001E-004 2.4632211538461998E-004 2.5240627163462001E-004 2.5864070654399001E-004 2.6502913199562999E-004 2.7157535155591998E-004 2.7828326273935002E-004 2.8515685932900997E-004 2.9220023375444001E-004 2.9941757952816998E-004 3.0681319374251998E-004 3.1439147962795998E-004 3.2215694917477002E-004 3.3011422581938999E-004 3.3826804719713001E-004 3.4662326796289000E-004 3.5518486268158001E-004 3.6395792878981002E-004 3.7294768963092002E-004 3.8215949756479999E-004 3.9159883715465999E-004 4.0127132843238001E-004 4.1118273024466000E-004 4.2133894368170000E-004 4.3174601559063999E-004 4.4241014217572000E-004 4.5333767268747002E-004 4.6453511320285000E-004 4.7600913049896000E-004 4.8776655602228002E-004 4.9981438995603004E-004 5.1215980538794003E-004 5.2481015258102996E-004 5.3777296334977999E-004 5.5105595554451998E-004 5.6466703764646996E-004 5.7861431347633004E-004 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