Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Fe Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 64. Ry Suggested minimum cutoff for charge density: 782. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential according to Troullier-Martins recipe, cutoff radius: 1.8000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 1.100 1.300 -6.891642 4S 2 0 2.00 0.800 1.400 -0.390306 3P 2 1 6.00 1.000 1.300 -4.404300 4P 3 1 0.00 1.000 1.600 -0.095488 3D 3 2 6.00 1.400 2.000 -0.553351 Generation configuration: 3S 1 0 2.00 1.100 1.300 -6.891684 4S 2 0 2.00 0.800 1.400 -0.390310 3P 2 1 6.00 1.000 1.300 -4.404339 4P 3 1 0.00 1.000 1.600 -0.095492 3D 3 2 6.00 1.400 2.000 -0.553382 3D 3 2 0.00 1.400 2.000 -0.400000 Pseudization used: troullier-martins title='Fe', zed=26., rel=1, config='[Ar] 4s2.0 3d6.0 4p0', iswitch=3, dft='PBESOL' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Fe.pbesol-spn-kjpaw_psl.0.2.1.UPF', author='ADC', lloc=-2, rcloc=1.8, which_augfun='PSQ', rmatch_augfun=0.68, nlcc=.true., new_core_ps=.true., rcore=0.6, tm=.true. / 6 3S 1 0 2.00 0.00 1.10 1.30 0.0 4S 2 0 2.00 0.00 0.80 1.40 0.0 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