Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: USPP Element: Ra Functional: PBE Suggested minimum cutoff for wavefunctions: 82. Ry Suggested minimum cutoff for charge density: 534. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.200 2.000 -2.553086 7S 2 0 2.00 1.200 2.000 -0.241136 6P 2 1 2.00 1.200 2.200 -1.522398 6P 2 1 4.00 1.200 2.200 -1.109108 5D 3 2 4.00 0.850 1.500 -5.297868 5D 3 2 6.00 0.850 1.500 -4.890295 Generation configuration: 6S 1 0 2.00 1.200 2.000 -2.553084 7S 2 0 2.00 1.200 2.000 -0.241138 7S 2 0 0.00 1.200 2.000 6.000000 6P 2 1 2.00 1.200 2.200 -1.522398 6P 2 1 4.00 1.200 2.200 -1.109104 7P 3 1 0.00 1.200 2.200 6.500000 7P 3 1 0.00 1.200 2.200 6.500000 5D 3 2 4.00 0.850 1.500 -5.297870 5D 3 2 6.00 0.850 1.500 -4.890297 5D 3 2 -2.00 0.850 1.500 -3.200000 5D 3 2 0.00 0.850 1.500 -3.200000 Pseudization used: troullier-martins &input title='Ra', zed=88., rel=2, config='[Xe] 4f14.0 5d10.0 6s2.0 6p6.0 6d0. 7s2. 7p0.', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ra.rel-pbe-spdn-rrkjus_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=1.2, tm=.true. / 7 6S 1 0 2.00 0.00 1.20 2.00 0.0 7S 2 0 2.00 0.00 1.20 2.00 0.0 7S 2 0 0.00 6.00 1.20 2.00 0.0 6P 2 1 6.00 0.00 1.20 2.20 0.0 7P 3 1 0.00 6.50 1.20 2.20 0.0 5D 3 2 10.00 0.00 0.85 1.50 0.0 5D 3 2 -2.00 -3.20 0.85 1.50 0.0 1.036229506311950e-5 1.049263668942071e-5 1.062461781155207e-5 1.075825905183243e-5 1.089358129197750e-5 1.103060567636260e-5 1.116935361532658e-5 1.130984678851717e-5 1.145210714827853e-5 1.159615692308130e-5 1.174201862099588e-5 1.188971503320930e-5 1.203926923758648e-5 1.219070460227610e-5 1.234404478936202e-5 1.249931375856044e-5 1.265653577096367e-5 1.281573539283105e-5 1.297693749942735e-5 1.314016727890975e-5 1.330545023626335e-5 1.347281219728651e-5 1.364227931262615e-5 1.381387806186380e-5 1.398763525765319e-5 1.416357804990965e-5 1.434173393005244e-5 1.452213073530028e-5 1.470479665302100e-5 1.488976022513591e-5 1.507705035257945e-5 1.526669629981507e-5 1.545872769940788e-5 1.565317455665474e-5 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