Generated using "atomic" code by A. Dal Corso v.5.1.1 svn rev. 11302 Author: Timrov Generation date: 19Jan2015 Pseudopotential type: NC Element: Bi Functional: LDA Suggested minimum cutoff for wavefunctions: 0. Ry Suggested minimum cutoff for charge density: 0. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 0 1.7900 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5D 3 2 4.00 1.880 1.880 -2.065022 5D 3 2 6.00 1.880 1.880 -1.843722 6P 2 1 2.00 2.300 2.300 -0.425840 6P 2 1 1.00 2.300 2.300 -0.286683 6S 1 0 2.00 2.256 2.256 -1.038078 Generation configuration: 5D 3 2 4.00 1.880 1.880 -2.065022 5D 3 2 6.00 1.880 1.880 -1.843715 6P 2 1 2.00 2.300 2.300 -0.425843 6P 2 1 1.00 2.300 2.300 -0.286682 6S 1 0 2.00 1.790 1.790 -1.038073 Pseudization used: troullier-martins &input title='Bi', zed=83.0, rel=2, beta=0.5, tr2=1e-14 config='[Xe] 4f14.0 5d10.0 6s2.0 6p3.0', iswitch=3, dft='LDA' / &inputp lloc=0, pseudotype=2, file_pseudopw='Bi.rel-pz-mt.UPF', nlcc=.false., tm=.true., author='Timrov', / 3 5D 3 2 10.00 0.00 1.88 1.88 0.0 6P 2 1 3.00 0.00 2.30 2.30 0.0 6S 1 0 2.00 0.00 1.79 1.79 0.0 1.098652970547610E-005 1.112472323697617E-005 1.126465502911545E-005 1.140634694652113E-005 1.154982112884361E-005 1.169509999421577E-005 1.184220624275589E-005 1.199116286011459E-005 1.214199312106639E-005 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