Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869 Author: ADC Generation date: 10Apr2014 Pseudopotential type: PAW Element: Mo Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 48. Ry Suggested minimum cutoff for charge density: 449. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.4000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 0.950 1.300 -4.729376 5S 2 0 1.00 0.950 1.300 -0.300327 4P 2 1 6.00 0.950 1.700 -2.828597 5P 3 1 0.00 0.950 1.700 -0.076687 4D 3 2 5.00 0.950 1.700 -0.275819 Generation configuration: 4S 1 0 2.00 0.950 1.300 -4.729383 5S 2 0 1.00 0.950 1.300 -0.300335 4P 2 1 6.00 0.950 1.700 -2.828609 5P 3 1 0.00 0.950 1.700 -0.076688 4D 3 2 5.00 0.950 1.700 -0.275823 4D 3 2 -2.00 0.950 1.700 0.300000 Pseudization used: troullier-martins &input title='Mo', zed=42.0, rel=1, config='[Kr] 4d5.0 5s1 5p0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Mo.pbe-spn-kjpaw_psl.0.3.0.UPF', author='ADC', lloc=-1, rcloc=1.4, which_augfun='PSQ', rmatch_augfun_nc=.true., 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 0.95 1.30 0.0 5S 2 0 1.00 0.00 0.95 1.30 0.0 4P 2 1 6.00 0.00 0.95 1.70 0.0 5P 3 1 0.00 0.00 0.95 1.70 0.0 4D 3 2 5.00 0.00 0.95 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