Generated using "atomic" code by A. Dal Corso v.6.3MaX Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: B Functional: PBE 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 -0.265109 Generation configuration: 2S 1 0 2.00 1.300 1.400 -0.694054 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 = .false., use_xsd=.FALSE., 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. / 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-4 1.846704057338044e-4 1.869932734833164e-4 1.893453593122508e-4 1.917270307388040e-4 1.941386599039818e-4 1.965806236297477e-4 1.990533034779023e-4 2.015570858097021e-4 2.040923618462309e-4 2.066595277295274e-4 2.092589845844837e-4 2.118911385815220e-4 2.145564010000593e-4 2.172551882927716e-4 2.199879221506636e-4 2.227550295689606e-4 2.255569429138265e-4 2.283940999899215e-4 2.312669441088115e-4 2.341759241582349e-4 2.371214946722426e-4 2.401041159022201e-4 2.431242538888029e-4 2.461823805346962e-4 2.492789736784099e-4 2.524145171689229e-4 2.555895009412849e-4 2.588044210931696e-4 2.620597799623920e-4 2.653560862053983e-4 2.686938548767453e-4 2.720736075095788e-4 2.754958721971234e-4 2.789611836751998e-4 2.824700834057763e-4 2.860231196615749e-4 2.896208476117391e-4 2.932638294085806e-4 2.969526342754174e-4 3.006878385955145e-4 3.044700260021464e-4 3.082997874697901e-4 3.121777214064664e-4 3.161044337472434e-4 3.200805380489129e-4 3.241066555858613e-4 3.281834154471452e-4 3.323114546347868e-4 3.364914181633082e-4 3.407239591605148e-4 3.450097389695485e-4 3.493494272522239e-4 3.537437020936641e-4 3.581932501082540e-4 3.626987665469231e-4 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