Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Mn Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 46. Ry Suggested minimum cutoff for charge density: 244. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 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 1.700 -6.311968 4S 2 0 2.00 0.800 1.600 -0.375346 3P 2 1 6.00 1.400 1.900 -4.012484 3D 3 2 5.00 1.400 1.600 -0.497630 Generation configuration: 3S 1 0 2.00 1.100 1.700 -6.312004 4S 2 0 2.00 0.800 1.600 -0.375350 3P 2 1 6.00 1.400 1.900 -4.012518 4P 3 1 0.00 1.400 1.900 0.400000 3D 3 2 5.00 1.400 1.600 -0.497655 3D 3 2 -2.00 1.400 1.600 -0.300000 Pseudization used: troullier-martins &input title='Mn c', zed=25.0, rel=1, config='[Ar] 3d5.0 4s2 4p0', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Mn.pbe-spn-kjpaw_psl.0.3.1.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun=1.3, nlcc=.true., new_core_ps=.true., rcore=0.7, tm=.true. / 6 3S 1 0 2.00 0.00 1.10 1.70 0.0 4S 2 0 2.00 0.00 0.80 1.60 0.0 3P 2 1 6.00 0.00 1.40 1.90 0.0 4P 3 1 0.00 0.40 1.40 1.90 0.0 3D 3 2 5.00 0.00 1.40 1.60 0.0 3D 3 2 -2.00 -0.30 1.40 1.60 0.0 3.647527862218065e-5 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