Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Se Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 21. Ry Suggested minimum cutoff for charge density: 95. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.9000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.700 1.800 -1.285168 4P 2 1 4.00 1.900 2.000 -0.489562 Generation configuration: 4S 1 0 2.00 1.700 1.800 -1.285164 4S 1 0 0.00 1.700 1.800 0.300000 4P 2 1 4.00 1.900 2.000 -0.489560 4P 2 1 0.00 1.900 2.000 0.300000 4D 3 2 -2.00 1.900 1.900 0.200000 Pseudization used: troullier-martins title='Se', zed=34., rel=1, config='[Ar] 3d10.0 4s2.0 4p4.0 4d-2.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Se.pz-n-kjpaw_psl.0.2.UPF', author='ADC', lloc=2, which_augfun='PSQ', rmatch_augfun=1.7, nlcc=.true., new_core_ps=.true., rcore=1.4, tm=.true. / 5 4S 1 0 2.00 0.00 1.70 1.80 0.0 4S 1 0 0.00 0.30 1.70 1.80 0.0 4P 2 1 4.00 0.00 1.90 2.00 0.0 4P 2 1 0.00 0.30 1.90 2.00 0.0 4D 3 2 -2.00 0.20 1.90 1.90 0.0 2.682005781042695E-005 2.715741260791242E-005 2.749901080637006E-005 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