Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Sb Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 27. Ry Suggested minimum cutoff for charge density: 168. 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. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.700 2.100 -0.948332 5P 2 1 2.00 1.700 2.500 -0.389560 5P 2 1 1.00 1.700 2.500 -0.343720 Generation configuration: 5S 1 0 2.00 1.700 2.100 -0.948329 5S 1 0 0.00 1.700 2.100 6.300000 5P 2 1 2.00 1.700 2.500 -0.389560 5P 2 1 1.00 1.700 2.500 -0.343718 5P 2 1 0.00 1.700 2.500 6.300000 5P 2 1 0.00 1.700 2.500 6.300000 5D 3 2 0.00 1.700 2.600 0.500000 5D 3 2 0.00 1.700 2.600 0.500000 5D 3 2 0.00 1.700 2.600 4.300000 5D 3 2 0.00 1.700 2.600 4.300000 Pseudization used: troullier-martins &input title='Sb', zed=51., rel=2, config='[Kr] 5s2 5p3 4d10 5d-1', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Sb.rel-pz-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=2.0, tm=.true. / 6 5S 1 0 2.00 0.00 1.70 2.10 0.0 5S 1 0 0.00 6.30 1.70 2.10 0.0 5P 2 1 3.00 0.00 1.70 2.50 0.0 5P 2 1 0.00 6.30 1.70 2.50 0.0 5D 3 2 0.00 0.50 1.70 2.60 0.0 5D 3 2 0.00 4.30 1.70 2.60 0.0 1.788003854028464e-5 1.810494173860828e-5 1.833267387091338e-5 1.856327052080890e-5 1.879676771949058e-5 1.903320195137076e-5 1.927261015977919e-5 1.951502975273551e-5 1.976049860879432e-5 2.000905508296381e-5 2.026073801269876e-5 2.051558672396899e-5 2.077364103740412e-5 2.103494127451562e-5 2.129952826399721e-5 2.156744334810428e-5 2.183872838911379e-5 2.211342577586533e-5 2.239157843038446e-5 2.267322981458937e-5 2.295842393708185e-5 2.324720536002378e-5 2.353961920610001e-5 2.383571116556892e-5 2.413552750340159e-5 2.443911506651077e-5 2.474652129107087e-5 2.505779420992989e-5 2.537298246011467e-5 2.569213529043059e-5 2.601530256915670e-5 2.634253479183778e-5 2.667388308917439e-5 2.700939923501211e-5 2.734913565443136e-5 2.769314543193885e-5 2.804148231976224e-5 2.839420074624893e-5 2.875135582437065e-5 2.911300336033504e-5 2.947919986230534e-5 2.985000254923003e-5 3.022546935978334e-5 3.060565896141828e-5 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