Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: I Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 36. Ry Suggested minimum cutoff for charge density: 154. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.500 1.800 -1.279409 5P 2 1 5.00 1.800 2.000 -0.520797 Generation configuration: 5S 1 0 2.00 1.500 1.800 -1.279404 5S 1 0 0.00 1.500 1.800 6.300000 5P 2 1 5.00 1.800 2.000 -0.520794 5P 2 1 0.00 1.800 2.000 6.300000 5D 3 2 0.00 1.600 2.100 0.500000 5D 3 2 0.00 1.600 2.100 4.300000 Pseudization used: troullier-martins &input title='I', zed=53., rel=1, config='[Kr] 5s2 5p5 4d10 5d-1', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='I.pbe-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 5S 1 0 2.00 0.00 1.50 1.80 0.0 5S 1 0 0.00 6.30 1.50 1.80 0.0 5P 2 1 5.00 0.00 1.80 2.00 0.0 5P 2 1 0.00 6.30 1.80 2.00 0.0 5D 3 2 0.00 0.50 1.60 2.10 0.0 5D 3 2 0.00 4.30 1.60 2.10 0.0 1.720532010480219e-5 1.742173638998155e-5 1.764087485691664e-5 1.786276974643876e-5 1.808745573007585e-5 1.831496791546998e-5 1.854534185186299e-5 1.877861353565116e-5 1.901481941600963e-5 1.925399640058782e-5 1.949618186127617e-5 1.974141364004564e-5 1.998973005486057e-5 2.024116990566598e-5 2.049577248045015e-5 2.075357756138336e-5 2.101462543103402e-5 2.127895687866288e-5 2.154661320659637e-5 2.181763623668034e-5 2.209206831681461e-5 2.236995232757005e-5 2.265133168888869e-5 2.293625036686820e-5 2.322475288063171e-5 2.351688430928395e-5 2.381269029895499e-5 2.411221706993254e-5 2.441551142388392e-5 2.472262075116906e-5 2.503359303824512e-5 2.534847687516466e-5 2.566732146316781e-5 2.599017662237013e-5 2.631709279954714e-5 2.664812107601664e-5 2.698331317562027e-5 2.732272147280558e-5 2.766639900080949e-5 2.801439945994503e-5 2.836677722599194e-5 2.872358735869305e-5 2.908488561035755e-5 2.945072843457231e-5 2.982117299502296e-5 3.019627717442575e-5 3.057609958357182e-5 3.096069957048540e-5 3.135013722969687e-5 3.174447341163286e-5 3.214376973212403e-5 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