Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Br Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 25. Ry Suggested minimum cutoff for charge density: 108. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 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 1.700 1.900 -1.490791 4P 2 1 2.00 1.700 1.800 -0.611989 4P 2 1 3.00 1.700 1.800 -0.574590 Generation configuration: 4S 1 0 2.00 1.700 1.900 -1.490788 4S 1 0 0.00 1.700 1.900 -1.000000 4P 2 1 2.00 1.700 1.800 -0.611989 4P 2 1 3.00 1.700 1.800 -0.574585 4P 2 1 0.00 1.700 1.800 0.200000 4P 2 1 0.00 1.700 1.800 0.200000 4D 3 2 -2.00 1.900 1.900 -0.500000 4D 3 2 0.00 1.900 1.900 -0.500000 Pseudization used: troullier-martins title='Br', zed=35., rel=2, config='[Ar] 3d10.0 4s2.0 4p5.0 4d-2.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Br.rel-pz-n-kjpaw_psl.0.2.UPF', author='ADC', lloc=2, which_augfun='PSQ', rmatch_augfun=1.6, nlcc=.true., new_core_ps=.true., rcore=1.4, tm=.true. / 5 4S 1 0 2.00 0.00 1.70 1.90 0.0 4S 1 0 0.00 -1.00 1.70 1.90 0.0 4P 2 1 5.00 0.00 1.70 1.80 0.0 4P 2 1 0.00 0.20 1.70 1.80 0.0 4D 3 2 -2.00 -0.50 1.90 1.90 0.0 2.605377044441475E-005 2.638148653340063E-005 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