Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: I Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 22. Ry Suggested minimum cutoff for charge density: 106. 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 5S 1 0 2.00 1.700 1.900 -1.291415 5P 2 1 2.00 1.700 1.900 -0.581272 5P 2 1 3.00 1.700 1.900 -0.505692 Generation configuration: 5S 1 0 2.00 1.700 1.900 -1.291410 5S 1 0 0.00 1.700 1.900 -1.000000 5P 2 1 2.00 1.700 1.900 -0.581274 5P 2 1 3.00 1.700 1.900 -0.505688 5P 2 1 0.00 1.700 1.900 0.200000 5P 2 1 0.00 1.700 1.900 0.200000 5D 3 2 -2.00 2.000 2.000 1.500000 5D 3 2 0.00 2.000 2.000 1.500000 Pseudization used: troullier-martins title='I', zed=53., rel=2, config='[Kr] 4d10.0 5s2.0 5p5.0 5d-2.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='I.rel-pz-n-kjpaw_psl.0.2.2.UPF', author='ADC', lloc=2, which_augfun ='PSQ', rmatch_augfun= 1.6, nlcc=.true., new_core_ps=.true., tm=.true. / 5 5S 1 0 2.00 0.00 1.70 1.90 0.0 5S 1 0 0.00 -1.00 1.70 1.90 0.0 5P 2 1 5.00 0.00 1.70 1.90 0.0 5P 2 1 0.00 0.20 1.70 1.90 0.0 5D 3 2 -2.00 1.50 2.00 2.00 0.0 1.720532010480219E-005 1.742173638998155E-005 1.764087485691664E-005 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