Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Os Functional: PBE Suggested minimum cutoff for wavefunctions: 54. Ry Suggested minimum cutoff for charge density: 270. 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 5S 1 0 2.00 1.000 1.300 -6.687462 6S 2 0 2.00 1.000 1.300 -0.447664 5P 2 1 2.00 1.100 1.300 -4.363700 5P 2 1 4.00 1.100 1.300 -3.466414 5D 3 2 4.00 1.500 1.700 -0.492978 5D 3 2 2.00 1.500 1.700 -0.416893 Generation configuration: 5S 1 0 2.00 1.000 1.300 -6.687461 6S 2 0 2.00 1.000 1.300 -0.447663 5P 2 1 2.00 1.100 1.300 -4.363699 5P 2 1 4.00 1.100 1.300 -3.466414 6P 3 1 0.00 1.100 1.300 -2.400000 6P 3 1 0.00 1.100 1.300 -2.400000 5D 3 2 4.00 1.500 1.700 -0.492978 5D 3 2 2.00 1.500 1.700 -0.416889 5D 3 2 0.00 1.500 1.700 0.050000 5D 3 2 0.00 1.500 1.700 0.050000 Pseudization used: troullier-martins &input title='Os', zed=76., rel=2, config='[Xe] 4f14 6s2 6p0 5d6', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Os.rel-pbe-spn-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. / 6 5S 1 0 2.00 0.00 1.00 1.30 0.0 6S 2 0 2.00 0.00 1.00 1.30 0.0 5P 2 1 6.00 0.00 1.10 1.30 0.0 6P 3 1 0.00 -2.40 1.10 1.30 0.0 5D 3 2 6.00 0.00 1.50 1.70 0.0 5D 3 2 0.00 0.05 1.50 1.70 0.0 1.199844691519100e-5 1.214936879827661e-5 1.230218904495503e-5 1.245693153370071e-5 1.261362044334237e-5 1.277228025684091e-5 1.293293576511498e-5 1.309561207091462e-5 1.326033459274356e-5 1.342712906883098e-5 1.359602156115312e-5 1.376703845950551e-5 1.394020648562645e-5 1.411555269737233e-5 1.429310449294550e-5 1.447288961517524e-5 1.465493615585267e-5 1.483927256012016e-5 1.502592763091589e-5 1.521493053347444e-5 1.540631079988387e-5 1.560009833370017e-5 1.579632341461974e-5 1.599501670321072e-5 1.619620924570370e-5 1.639993247884275e-5 1.660621823479756e-5 1.681509874613716e-5 1.702660665086642e-5 1.724077499752578e-5 1.745763725035515e-5 1.767722729452272e-5 1.789957944141966e-5 1.812472843402128e-5 1.835270945231577e-5 1.858355811880108e-5 1.881731050405098e-5 1.905400313235126e-5 1.929367298740662e-5 1.953635751811957e-5 1.978209464444174e-5 2.003092276329910e-5 2.028288075459145e-5 2.053800798726753e-5 2.079634432547654e-5 2.105793013479690e-5 2.132280628854351e-5 2.159101417415429e-5 2.186259569965702e-5 2.213759330021766e-5 2.241604994477072e-5 2.269800914273345e-5 2.298351495080421e-5 2.327261197984632e-5 2.356534540185881e-5 2.386176095703441e-5 2.416190496090667e-5 2.446582431158686e-5 2.477356649709181e-5 2.508517960276416e-5 2.540071231878565e-5 2.572021394778509e-5 2.604373441254205e-5 2.637132426378735e-5 2.670303468810176e-5 2.703891751591394e-5 2.737902522959908e-5 2.772341097167939e-5 2.807212855312773e-5 2.842523246177572e-5 2.878277787082744e-5 2.914482064748048e-5 2.951141736165530e-5 2.988262529483431e-5 3.025850244901231e-5 3.063910755575939e-5 3.102450008539781e-5 3.141474025629438e-5 3.180988904426978e-5 3.221000819212608e-5 3.261516021929419e-5 3.302540843160262e-5 3.344081693116918e-5 3.386145062641710e-5 3.428737524221708e-5 3.471865733015687e-5 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