Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: PAW Element: Ra Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 78. Ry Suggested minimum cutoff for charge density: 524. 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 6S 1 0 2.00 1.200 2.000 -2.585921 7S 2 0 2.00 1.200 2.000 -0.251724 6P 2 1 6.00 1.200 2.200 -1.227579 5D 3 2 10.00 0.850 1.500 -5.089691 Generation configuration: 6S 1 0 2.00 1.200 2.000 -2.585936 7S 2 0 2.00 1.200 2.000 -0.251729 7S 2 0 0.00 1.200 2.000 6.000000 6P 2 1 6.00 1.200 2.200 -1.227590 7P 3 1 0.00 1.200 2.200 6.500000 5D 3 2 10.00 0.850 1.500 -5.089707 5D 3 2 -2.00 0.850 1.500 -3.200000 Pseudization used: troullier-martins &input title='Ra', zed=88., rel=1, config='[Xe] 4f14.0 5d10.0 6s2.0 6p6.0 6d0. 7s2. 7p0.', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ra.pz-spdn-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=1.2, 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 1.585006725427272e-5 1.604943655714638e-5 1.625131361713494e-5 1.645572997793973e-5 1.666271758003299e-5 1.687230876564872e-5 1.708453628383605e-5 1.729943329557650e-5 1.751703337896535e-5 1.773737053445832e-5 1.796047919018429e-5 1.818639420732460e-5 1.841515088556030e-5 1.864678496858779e-5 1.888133264970379e-5 1.911883057746069e-5 1.935931586139289e-5 1.960282607781525e-5 1.984939927569454e-5 2.009907398259455e-5 2.035188921069625e-5 2.060788446289336e-5 2.086709973896486e-5 2.112957554182501e-5 2.139535288385202e-5 2.166447329329632e-5 2.193697882076942e-5 2.221291204581440e-5 2.249231608355905e-5 2.277523459145271e-5 2.306171177608789e-5 2.335179240010749e-5 2.364552178919920e-5 2.394294583917766e-5 2.424411102315577e-5 2.454906439880630e-5 2.485785361571460e-5 2.517052692282405e-5 2.548713317597504e-5 2.580772184553871e-5 2.613234302414700e-5 2.646104743451947e-5 2.679388643738901e-5 2.713091203952697e-5 2.747217690186935e-5 2.781773434774526e-5 2.816763837120862e-5 2.852194364547498e-5 2.888070553146430e-5 2.924398008645113e-5 2.961182407282385e-5 2.998429496695365e-5 3.036145096817557e-5 3.074335100788212e-5 3.113005475873146e-5 3.152162264397147e-5 3.191811584688083e-5 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