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 PW PBX PBC Suggested minimum cutoff for wavefunctions: 24. Ry Suggested minimum cutoff for charge density: 109. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 2.0000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.700 1.900 -1.279409 5P 2 1 5.00 1.700 1.800 -0.520797 Generation configuration: 5S 1 0 2.00 1.700 1.900 -1.279404 5S 1 0 0.00 1.700 1.900 -1.000000 5P 2 1 5.00 1.700 1.800 -0.520794 5P 2 1 0.00 1.700 1.800 0.200000 5D 3 2 -2.00 2.000 2.000 1.500000 Pseudization used: troullier-martins title='I', zed=53., rel=1, config='[Kr] 4d10.0 5s2.0 5p5.0 5d-2.0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='I.pbe-n-kjpaw_psl.0.2.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 1.80 0.0 5P 2 1 0.00 0.20 1.70 1.80 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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