Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Tc Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 63. Ry Suggested minimum cutoff for charge density: 857. 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 -5.382230 5S 2 0 2.00 0.950 1.100 -0.385860 4P 2 1 2.00 0.700 1.700 -3.477808 4P 2 1 4.00 0.700 1.700 -3.257775 5P 3 1 0.00 0.700 1.200 -0.119056 5P 3 1 0.00 0.700 1.200 -0.108433 4D 3 2 4.00 1.300 2.000 -0.508125 4D 3 2 1.00 1.300 2.000 -0.487058 Generation configuration: 4S 1 0 2.00 1.350 1.700 -5.382225 5S 2 0 2.00 0.950 1.100 -0.385860 4P 2 1 2.00 0.700 1.700 -3.477801 4P 2 1 4.00 0.700 1.700 -3.257767 5P 3 1 0.00 0.700 1.200 -0.119061 5P 3 1 0.00 0.700 1.200 -0.108433 4D 3 2 4.00 1.300 2.000 -0.508121 4D 3 2 1.00 1.300 2.000 -0.487050 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='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Tc.rel-pz-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 3.325850228622963e-5 3.367684274555105e-5 3.410044528006751e-5 3.452937607853691e-5 3.496370216226913e-5 3.540349139559840e-5 3.584881249648722e-5 3.629973504726354e-5 3.675632950549341e-5 3.721866721498987e-5 3.768682041696062e-5 3.816086226129595e-5 3.864086681799846e-5 3.912690908875678e-5 3.961906501866452e-5 4.011741150808704e-5 4.062202642467721e-5 4.113298861554233e-5 4.165037791956442e-5 4.217427517987477e-5 4.270476225648622e-5 4.324192203908375e-5 4.378583845997622e-5 4.433659650721109e-5 4.489428223785370e-5 4.545898279143412e-5 4.603078640356271e-5 4.660978241971717e-5 4.719606130920312e-5 4.778971467928974e-5 4.839083528952395e-5 4.899951706622405e-5 4.961585511715599e-5 5.023994574639429e-5 5.087188646936943e-5 5.151177602810504e-5 5.215971440664657e-5 5.281580284668388e-5 5.348014386337061e-5 5.415284126134217e-5 5.483400015093565e-5 5.552372696461333e-5 5.622212947359309e-5 5.692931680468797e-5 5.764539945735717e-5 5.837048932097206e-5 5.910469969229903e-5 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