Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869 Author: ADC Generation date: 10Apr2014 Pseudopotential type: PAW Element: B Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 43. Ry Suggested minimum cutoff for charge density: 170. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.2000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 2S 1 0 2.00 1.300 1.400 -0.694058 2P 2 1 1.00 1.200 1.400 -0.265108 Generation configuration: 2S 1 0 2.00 1.300 1.400 -0.694053 2S 1 0 0.00 1.300 1.400 0.050000 2P 2 1 1.00 1.200 1.400 -0.265108 2P 2 1 0.00 0.800 1.400 1.500000 3D 3 2 -2.00 1.200 1.200 0.150000 Pseudization used: troullier-martins &input title='B', zed=5.0, rel=1, config='1s2.0 2s2.0 2p1.0 3d-2.0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='B.pbe-n-kjpaw_psl.0.1.UPF', author='ADC', lloc=2, which_augfun ='BESSEL', rmatch_augfun=1.30, nlcc=.true., tm=.true. lgipaw_reconstruction=.true. use_paw_as_gipaw=.true. / 5 2S 1 0 2.00 0.00 1.30 1.40 0.0 2S 1 0 0.00 0.05 1.30 1.40 0.0 2P 2 1 1.00 0.00 1.20 1.40 0.0 2P 2 1 0.00 1.50 0.80 1.40 0.0 3D 3 2 -2.00 0.15 1.20 1.20 0.0 1.823763931109032E-004 1.846704057338044E-004 1.869932734833164E-004 1.893453593122508E-004 1.917270307388040E-004 1.941386599039818E-004 1.965806236297477E-004 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