Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: USPP Element: Th Functional: LDA Suggested minimum cutoff for wavefunctions: 104. Ry Suggested minimum cutoff for charge density: 414. 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 1.400 1.600 -3.168075 7S 2 0 2.00 1.400 1.600 -0.307137 6P 2 1 2.00 1.600 2.100 -1.982133 6P 2 1 4.00 1.600 2.100 -1.430018 6D 3 2 1.00 1.600 2.200 -0.196519 6D 3 2 0.00 1.600 2.200 -0.165413 5F 4 3 1.00 1.200 1.300 -0.105849 5F 4 3 0.00 1.200 1.300 -0.064888 Generation configuration: 6S 1 0 2.00 1.400 1.600 -3.168076 7S 2 0 2.00 1.400 1.600 -0.307141 6P 2 1 2.00 1.600 2.100 -1.982133 6P 2 1 4.00 1.600 2.100 -1.430014 7P 3 1 0.00 1.600 2.100 4.000000 7P 3 1 0.00 1.600 2.100 4.000000 6D 3 2 1.00 1.600 2.200 -0.196526 6D 3 2 0.00 1.600 2.200 -0.165412 6D 3 2 0.00 1.600 2.200 4.800000 6D 3 2 0.00 1.600 2.200 4.800000 5F 4 3 1.00 1.200 1.300 -0.105855 5F 4 3 0.00 1.200 1.300 -0.064887 5F 4 3 0.00 1.200 1.300 3.100000 5F 4 3 0.00 1.200 1.300 3.100000 Pseudization used: troullier-martins &input title='Th', zed=90.0, rel=2, config='[Rn] 6d1.0 7s2.0 7p0. 5f1', iswitch=3, dft='LDA' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Th.rel-pz-spfn-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=1.1, tm=.true. / 8 6S 1 0 2.00 0.00 1.40 1.60 0.0 7S 2 0 2.00 0.00 1.40 1.60 0.0 6P 2 1 6.00 0.00 1.60 2.10 0.0 7P 3 1 0.00 4.00 1.60 2.10 0.0 6D 3 2 1.00 0.00 1.60 2.20 0.0 6D 3 2 0.00 4.80 1.60 2.20 0.0 5F 4 3 1.00 0.00 1.20 1.30 0.0 5F 4 3 0.00 3.10 1.20 1.30 0.0 1.013202183949462e-5 1.025946698521136e-5 1.038851519351758e-5 1.051918662845837e-5 1.065150170771133e-5 1.078548110577676e-5 1.092114575720821e-5 1.105851685988346e-5 1.119761587831678e-5 1.133846454701283e-5 1.148108487386263e-5 1.162549914358243e-5 1.177172992119567e-5 1.191980005555885e-5 1.206973268293175e-5 1.222155123059242e-5 1.237527942049781e-5 1.253094127299036e-5 1.268856111055119e-5 1.284816356160064e-5 1.300977356434638e-5 1.317341637068014e-5 1.333911755012334e-5 1.350690299382238e-5 1.367679891859424e-5 1.384883187102277e-5 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