Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869 Author: ADC Generation date: 10Apr2014 Pseudopotential type: PAW Element: Nb Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 42. Ry Suggested minimum cutoff for charge density: 364. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.5000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.000 1.400 -4.291824 5S 2 0 1.00 1.000 1.400 -0.292646 4P 2 1 6.00 1.000 1.700 -2.537218 4D 3 2 4.00 1.000 1.700 -0.223441 Generation configuration: 4S 1 0 2.00 1.000 1.400 -4.291833 5S 2 0 1.00 1.000 1.400 -0.292652 4P 2 1 6.00 1.000 1.700 -2.537227 5P 3 1 0.00 1.000 1.700 -0.500000 4D 3 2 4.00 1.000 1.700 -0.223445 4D 3 2 -2.00 1.000 1.700 0.200000 Pseudization used: troullier-martins &input title='Nb', zed=41.0, rel=1, config='[Kr] 4d4.0 5s1 5p0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Nb.pbe-spn-kjpaw_psl.0.3.0.UPF', author='ADC', lloc=-1, rcloc=1.5, which_augfun='PSQ', rmatch_augfun=1.0, nlcc=.true., new_core_ps=.true., rcore=1.0, tm=.true. lgipaw_reconstruction=.true. use_paw_as_gipaw=.true. / 6 4S 1 0 2.00 0.00 1.00 1.40 0.0 5S 2 0 1.00 0.00 1.00 1.40 0.0 4P 2 1 6.00 0.00 1.00 1.70 0.0 5P 3 1 0.00 -0.50 1.00 1.70 0.0 4D 3 2 4.00 0.00 1.00 1.70 0.0 4D 3 2 -2.00 0.20 1.00 1.70 0.0 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