Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Mo Functional: PBESOL Suggested minimum cutoff for wavefunctions: 49. Ry Suggested minimum cutoff for charge density: 306. 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 1.100 1.150 -4.927492 5S 2 0 2.00 1.100 1.150 -0.361137 4P 2 1 6.00 1.000 1.600 -3.017370 4D 3 2 4.00 1.300 1.600 -0.416191 Generation configuration: 4S 1 0 2.00 1.100 1.150 -4.927543 5S 2 0 2.00 1.100 1.150 -0.361153 4P 2 1 6.00 1.000 1.600 -3.017419 5P 3 1 0.00 1.000 1.600 -2.500000 4D 3 2 4.00 1.300 1.600 -0.416221 4D 3 2 0.00 1.300 1.600 1.000000 Pseudization used: troullier-martins &input title='Mo', zed=42., rel=1, config='[Kr] 5s2 5p0 4d4', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Mo.pbesol-spn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.4, 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 1.10 1.15 0.0 5S 2 0 2.00 0.00 1.10 1.15 0.0 4P 2 1 6.00 0.00 1.00 1.60 0.0 5P 3 1 0.00 -2.50 1.00 1.60 0.0 4D 3 2 4.00 0.00 1.30 1.60 0.0 4D 3 2 0.00 1.00 1.30 1.60 0.0 2.171147537034563e-5 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