Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Ir Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 27. Ry Suggested minimum cutoff for charge density: 361. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.5000 Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 2.200 2.300 -0.465317 6P 2 1 0.00 2.300 2.500 -0.089370 5D 3 2 7.00 1.800 2.100 -0.525313 Generation configuration: 6S 1 0 2.00 2.200 2.300 -0.465315 6S 1 0 0.00 2.200 2.300 0.400000 6P 2 1 0.00 2.300 2.500 -0.089370 6P 2 1 0.00 2.300 2.500 6.400000 5D 3 2 7.00 1.800 2.100 -0.525311 5D 3 2 0.00 1.800 2.100 4.300000 Pseudization used: troullier-martins title='Ir', zed=77., rel=1, config='[Xe] 4f14.0 5d7.0 6s2.0 6p0.0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Ir.pbe-n-kjpaw_psl.0.2.3.UPF', author='ADC', lloc=-1, rcloc=2.5, which_augfun='PSQ', rmatch_augfun=1.0, nlcc=.true., tm=.true. / 6 6S 1 0 2.00 0.00 2.20 2.30 0.0 6S 1 0 0.00 0.40 2.20 2.30 0.0 6P 2 1 0.00 0.00 2.30 2.50 0.0 6P 2 1 0.00 6.40 2.30 2.50 0.0 5D 3 2 7.00 0.00 1.80 2.10 0.0 5D 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