Generated using FHI98PP, converted with fhi2upf.x v.5.0.1 Author: Abinit web site Generation date: 10-Jul-2012, PG 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 Non-Relativistic Calculation L component and cutoff radius for Local Potential: 1 0.0000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 4s 4 0 2.00 0.000 0.000 0.000000 4p 4 1 0.00 0.000 0.000 0.000000 3d 3 2 6.00 0.000 0.000 0.000000 4f 4 3 0.00 0.000 0.000 0.000000 Generation configuration: not available. Comment: iron, fhi98PP : Trouiller-Martins-type, LDA Ceperley/Alder Perdew/Wang (1992), l 2.403846153846200E-004 2.463221153846200E-004 2.524062716346200E-004 2.586407065439900E-004 2.650291319956300E-004 2.715753515559200E-004 2.782832627393500E-004 2.851568593290100E-004 2.922002337544400E-004 2.994175795281700E-004 3.068131937425200E-004 3.143914796279600E-004 3.221569491747700E-004 3.301142258193900E-004 3.382680471971300E-004 3.466232679628900E-004 3.551848626815800E-004 3.639579287898100E-004 3.729476896309200E-004 3.821594975648000E-004 3.915988371546600E-004 4.012713284323800E-004 4.111827302446600E-004 4.213389436817000E-004 4.317460155906400E-004 4.424101421757200E-004 4.533376726874700E-004 4.645351132028500E-004 4.760091304989600E-004 4.877665560222800E-004 4.998143899560300E-004 5.121598053879400E-004 5.248101525810300E-004 5.377729633497800E-004 5.510559555445200E-004 5.646670376464700E-004 5.786143134763300E-004 5.929060870192000E-004 6.075508673685700E-004 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