Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Y Functional: PBE Suggested minimum cutoff for wavefunctions: 38. Ry Suggested minimum cutoff for charge density: 257. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.6000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.200 1.400 -3.527473 5S 2 0 2.00 1.200 1.400 -0.301505 4P 2 1 6.00 1.300 1.600 -2.051797 5P 3 1 0.00 1.300 1.600 -0.105878 4D 3 2 1.00 1.200 1.800 -0.184882 Generation configuration: 4S 1 0 2.00 1.200 1.400 -3.527511 5S 2 0 2.00 1.200 1.400 -0.301516 4P 2 1 6.00 1.300 1.600 -2.051824 5P 3 1 0.00 1.300 1.600 -0.105882 4D 3 2 1.00 1.200 1.800 -0.184899 4D 3 2 0.00 1.200 1.800 0.500000 Pseudization used: troullier-martins &input title='Y', zed=39., rel=1, config='[Kr] 5s2 5p0 4d1', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Y.pbe-spn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.6, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 4S 1 0 2.00 0.00 1.20 1.40 0.0 5S 2 0 2.00 0.00 1.20 1.40 0.0 4P 2 1 6.00 0.00 1.30 1.60 0.0 5P 3 1 0.00 0.00 1.30 1.60 0.0 4D 3 2 1.00 0.00 1.20 1.80 0.0 4D 3 2 0.00 0.50 1.20 1.80 0.0 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