Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Se Functional: PBE Suggested minimum cutoff for wavefunctions: 55. Ry Suggested minimum cutoff for charge density: 249. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.300 1.700 -1.266051 4P 2 1 2.00 1.400 1.700 -0.493923 4P 2 1 2.00 1.400 1.700 -0.466446 3D 3 2 4.00 1.300 1.500 -3.935382 3D 3 2 6.00 1.300 1.500 -3.869643 Generation configuration: 4S 1 0 2.00 1.300 1.700 -1.266047 4S 1 0 0.00 1.300 1.700 6.000000 4P 2 1 2.00 1.400 1.700 -0.493925 4P 2 1 2.00 1.400 1.700 -0.466442 4P 2 1 0.00 1.400 1.700 6.000000 4P 2 1 0.00 1.400 1.700 6.000000 3D 3 2 4.00 1.300 1.500 -3.935382 3D 3 2 6.00 1.300 1.500 -3.869643 3D 3 2 0.00 1.300 1.500 0.050000 3D 3 2 0.00 1.300 1.500 0.050000 Pseudization used: troullier-martins &input title='Se', zed=34., rel=2, config='[Ar] 4s2 4p4 3d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Se.rel-pbe-dn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 1.70 0.0 4S 1 0 0.00 6.00 1.30 1.70 0.0 4P 2 1 4.00 0.00 1.40 1.70 0.0 4P 2 1 0.00 6.00 1.40 1.70 0.0 3D 3 2 10.00 0.00 1.30 1.50 0.0 3D 3 2 0.00 0.05 1.30 1.50 0.0 2.682005781042695e-5 2.715741260791242e-5 2.749901080637007e-5 2.784490578121335e-5 2.819515157923588e-5 2.854980292705614e-5 2.890891523966879e-5 2.927254462910327e-5 2.964074791319149e-5 3.001358262444572e-5 3.039110701904815e-5 3.077338008595349e-5 3.116046155610618e-5 3.155241191177343e-5 3.194929239599582e-5 3.235116502215641e-5 3.275809258367068e-5 3.317013866379801e-5 3.358736764557669e-5 3.400984472188406e-5 3.443763590562278e-5 3.487080804003567e-5 3.530942880915002e-5 3.575356674835337e-5 3.620329125510239e-5 3.665867259976616e-5 3.711978193660630e-5 3.758669131489483e-5 3.805947369017200e-5 3.853820293564588e-5 3.902295385373504e-5 3.951380218775667e-5 4.001082463376158e-5 4.051409885251815e-5 4.102370348164702e-5 4.153971814790828e-5 4.206222347964337e-5 4.259130111937339e-5 4.312703373655597e-5 4.366950504050255e-5 4.421879979345801e-5 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