Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Bi Functional: PBE Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 456. 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 1.700 2.000 -1.018343 6P 2 1 2.00 2.200 2.400 -0.408528 6P 2 1 1.00 2.200 2.400 -0.272554 5D 3 2 4.00 0.900 1.600 -2.056574 5D 3 2 6.00 0.900 1.600 -1.836846 Generation configuration: 6S 1 0 2.00 1.700 2.000 -1.018339 6S 1 0 0.00 1.700 2.000 4.000000 6P 2 1 2.00 2.200 2.400 -0.408528 6P 2 1 1.00 2.200 2.400 -0.272552 6P 2 1 0.00 2.200 2.400 6.000000 6P 2 1 0.00 2.200 2.400 6.000000 5D 3 2 4.00 0.900 1.600 -2.056574 5D 3 2 6.00 0.900 1.600 -1.836845 5D 3 2 0.00 0.900 1.600 6.000000 5D 3 2 0.00 0.900 1.600 6.000000 Pseudization used: troullier-martins &input title='Bi', zed=83., rel=2, config='[Xe] 4f14 6s2 6p3 5d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Bi.rel-pbe-dn-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=1.6, tm=.true. / 6 6S 1 0 2.00 0.00 1.70 2.00 0.0 6S 1 0 0.00 4.00 1.70 2.00 0.0 6P 2 1 3.00 0.00 2.20 2.40 0.0 6P 2 1 0.00 6.00 2.20 2.40 0.0 5D 3 2 10.00 0.00 0.90 1.60 0.0 5D 3 2 0.00 6.00 0.90 1.60 0.0 1.098652970547610e-5 1.112472323697617e-5 1.126465502911545e-5 1.140634694652113e-5 1.154982112884361e-5 1.169509999421577e-5 1.184220624275589e-5 1.199116286011459e-5 1.214199312106639e-5 1.229472059314644e-5 1.244936914033298e-5 1.260596292677613e-5 1.276452642057362e-5 1.292508439759394e-5 1.308766194534769e-5 1.325228446690745e-5 1.341897768487715e-5 1.358776764541123e-5 1.375868072228442e-5 1.393174362101274e-5 1.410698338302620e-5 1.428442738989413e-5 1.446410336760362e-5 1.464603939089174e-5 1.483026388763230e-5 1.501680564327771e-5 1.520569380535680e-5 1.539695788802921e-5 1.559062777669696e-5 1.578673373267422e-5 1.598530639791556e-5 1.618637679980394e-5 1.638997635599872e-5 1.659613687934478e-5 1.680489058284336e-5 1.701627008468532e-5 1.723030841334789e-5 1.744703901275537e-5 1.766649574750486e-5 1.788871290815768e-5 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