Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Sn Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 47. Ry Suggested minimum cutoff for charge density: 250. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 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 5S 1 0 2.00 1.800 2.000 -0.761803 5P 2 1 2.00 2.000 2.300 -0.282773 5P 2 1 0.00 2.000 2.300 -0.250122 4D 3 2 4.00 1.300 1.600 -1.915671 4D 3 2 6.00 1.300 1.600 -1.839032 Generation configuration: 5S 1 0 2.00 1.800 2.000 -0.761799 5S 1 0 0.00 1.800 2.000 3.000000 5P 2 1 2.00 2.000 2.300 -0.282774 5P 2 1 0.00 2.000 2.300 -0.250120 5P 2 1 0.00 2.000 2.300 6.000000 5P 2 1 0.00 2.000 2.300 6.000000 4D 3 2 4.00 1.300 1.600 -1.915668 4D 3 2 6.00 1.300 1.600 -1.839027 4D 3 2 0.00 1.300 1.600 4.500000 4D 3 2 0.00 1.300 1.600 4.500000 Pseudization used: troullier-martins &input title='Sn', zed=50., rel=2, config='[Kr] 5s2 5p2 4d10', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Sn.rel-pbesol-dn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 1.80 2.00 0.0 5S 1 0 0.00 3.00 1.80 2.00 0.0 5P 2 1 2.00 0.00 2.00 2.30 0.0 5P 2 1 0.00 6.00 2.00 2.30 0.0 4D 3 2 10.00 0.00 1.30 1.60 0.0 4D 3 2 0.00 4.50 1.30 1.60 0.0 1.823763931109033e-5 1.846704057338044e-5 1.869932734833164e-5 1.893453593122508e-5 1.917270307388040e-5 1.941386599039818e-5 1.965806236297477e-5 1.990533034779023e-5 2.015570858097021e-5 2.040923618462309e-5 2.066595277295274e-5 2.092589845844837e-5 2.118911385815220e-5 2.145564010000594e-5 2.172551882927716e-5 2.199879221506636e-5 2.227550295689606e-5 2.255569429138265e-5 2.283940999899215e-5 2.312669441088115e-5 2.341759241582349e-5 2.371214946722426e-5 2.401041159022202e-5 2.431242538888029e-5 2.461823805346962e-5 2.492789736784100e-5 2.524145171689229e-5 2.555895009412849e-5 2.588044210931696e-5 2.620597799623920e-5 2.653560862053983e-5 2.686938548767453e-5 2.720736075095788e-5 2.754958721971235e-5 2.789611836751997e-5 2.824700834057764e-5 2.860231196615748e-5 2.896208476117391e-5 2.932638294085806e-5 2.969526342754174e-5 3.006878385955145e-5 3.044700260021464e-5 3.082997874697901e-5 3.121777214064664e-5 3.161044337472434e-5 3.200805380489129e-5 3.241066555858613e-5 3.281834154471452e-5 3.323114546347869e-5 3.364914181633083e-5 3.407239591605147e-5 3.450097389695485e-5 3.493494272522240e-5 3.537437020936641e-5 3.581932501082539e-5 3.626987665469230e-5 3.672609554057814e-5 3.718805295361202e-5 3.765582107557955e-5 3.812947299620153e-5 3.860908272455419e-5 3.909472520063334e-5 3.958647630706393e-5 4.008441288095678e-5 4.058861272591469e-5 4.109915462418917e-5 4.161611834899059e-5 4.213958467695268e-5 4.266963540075416e-5 4.320635334189909e-5 4.374982236365771e-5 4.430012738417034e-5 4.485735438971607e-5 4.542159044814814e-5 4.599292372249873e-5 4.657144348475428e-5 4.715724012980466e-5 4.775040518956747e-5 4.835103134729007e-5 4.895921245203166e-5 4.957504353332717e-5 5.019862081603597e-5 5.083004173537716e-5 5.146940495215400e-5 5.211681036816996e-5 5.277235914183843e-5 5.343615370398901e-5 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