Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Tc Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 63. Ry Suggested minimum cutoff for charge density: 853. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.2000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.350 1.700 -5.381700 5S 2 0 2.00 0.950 1.100 -0.369452 4P 2 1 2.00 0.700 1.700 -3.471403 4P 2 1 4.00 0.700 1.700 -3.255002 5P 3 1 0.00 0.700 1.200 -0.109164 5P 3 1 0.00 0.700 1.200 -0.099504 4D 3 2 4.00 1.300 2.000 -0.497077 4D 3 2 1.00 1.300 2.000 -0.476161 Generation configuration: 4S 1 0 2.00 1.350 1.700 -5.381696 5S 2 0 2.00 0.950 1.100 -0.369453 4P 2 1 2.00 0.700 1.700 -3.471397 4P 2 1 4.00 0.700 1.700 -3.254995 5P 3 1 0.00 0.700 1.200 -0.109168 5P 3 1 0.00 0.700 1.200 -0.099505 4D 3 2 4.00 1.300 2.000 -0.497073 4D 3 2 1.00 1.300 2.000 -0.476153 4D 3 2 -2.00 1.300 2.000 0.300000 4D 3 2 0.00 1.300 2.000 0.300000 Pseudization used: troullier-martins &input title='Tc', zed=43.0, rel=2, config='[Kr] 4d5.0 5s2 5p0', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Tc.rel-pbe-spn-kjpaw_psl.0.3.0.UPF', author='ADC', lloc=-1, rcloc=1.2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.9, tm=.true. / 6 4S 1 0 2.00 0.00 1.35 1.70 0.0 5S 2 0 2.00 0.00 0.95 1.10 0.0 4P 2 1 6.00 0.00 0.70 1.70 0.0 5P 3 1 0.00 0.00 0.70 1.20 0.0 4D 3 2 5.00 0.00 1.30 2.00 0.0 4D 3 2 -2.00 0.30 1.30 2.00 0.0 2.120655733847712e-5 2.147330299230284e-5 2.174340389340889e-5 2.201690224561056e-5 2.229384078358186e-5 2.257426277953276e-5 2.285821204997067e-5 2.314573296254677e-5 2.343687044298862e-5 2.373166998211987e-5 2.403017764296830e-5 2.433244006796322e-5 2.463850448622349e-5 2.494841872093714e-5 2.526223119683391e-5 2.557999094775159e-5 2.590174762429776e-5 2.622755150160772e-5 2.655745348720017e-5 2.689150512893158e-5 2.722975862305057e-5 2.757226682235379e-5 2.791908324444420e-5 2.827026208009336e-5 2.862585820170887e-5 2.898592717190813e-5 2.935052525220034e-5 2.971970941177731e-5 3.009353733641507e-5 3.047206743748744e-5 3.085535886109283e-5 3.124347149729597e-5 3.163646598948591e-5 3.203440374385156e-5 3.243734693897672e-5 3.284535853555538e-5 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