Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: As Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 20. Ry Suggested minimum cutoff for charge density: 103. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 2.0000 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 1.800 -1.074349 4P 2 1 2.00 1.900 2.000 -0.402461 4P 2 1 1.00 1.900 2.000 -0.381840 Generation configuration: 4S 1 0 2.00 1.700 1.800 -1.074345 4S 1 0 0.00 1.700 1.800 0.400000 4P 2 1 2.00 1.900 2.000 -0.402462 4P 2 1 1.00 1.900 2.000 -0.381837 4P 2 1 0.00 1.900 2.000 0.400000 4P 2 1 0.00 1.900 2.000 0.400000 4D 3 2 -2.00 2.000 2.000 0.500000 4D 3 2 0.00 2.000 2.000 0.500000 Pseudization used: troullier-martins title='As', zed=33., rel=2, config='[Ar] 3d10.0 4s2.0 4p3.0 4d-2.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='As.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=1.6, tm=.true. / 5 4S 1 0 2.00 0.00 1.70 1.80 0.0 4S 1 0 0.00 0.40 1.70 1.80 0.0 4P 2 1 3.00 0.00 1.90 2.00 0.0 4P 2 1 0.00 0.40 1.90 2.00 0.0 4D 3 2 -2.00 0.50 2.00 2.00 0.0 2.763278683498534E-005 2.798036450512189E-005 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