Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Cu Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 71. Ry Suggested minimum cutoff for charge density: 329. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.4000 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 3S 1 0 2.00 1.000 1.250 -8.406292 4S 2 0 1.00 1.000 1.250 -0.338685 3P 2 1 2.00 1.100 1.200 -5.418138 3P 2 1 4.00 1.100 1.200 -5.228276 3D 3 2 4.00 1.100 1.450 -0.383906 3D 3 2 6.00 1.100 1.450 -0.364047 Generation configuration: 3S 1 0 2.00 1.000 1.250 -8.406292 4S 2 0 1.00 1.000 1.250 -0.338686 3P 2 1 2.00 1.100 1.200 -5.418136 3P 2 1 4.00 1.100 1.200 -5.228272 4P 3 1 0.00 1.100 1.200 7.000000 4P 3 1 0.00 1.100 1.200 7.000000 3D 3 2 4.00 1.100 1.450 -0.383904 3D 3 2 6.00 1.100 1.450 -0.364038 3D 3 2 0.00 1.100 1.450 0.050000 3D 3 2 0.00 1.100 1.450 0.050000 Pseudization used: troullier-martins &input title='Cu', zed=29., rel=2, config='[Ar] 4s1 4p0 3d10', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Cu.rel-pbesol-spn-kjpaw_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=0.8, tm=.true. / 6 3S 1 0 2.00 0.00 1.00 1.25 0.0 4S 2 0 1.00 0.00 1.00 1.25 0.0 3P 2 1 6.00 0.00 1.10 1.20 0.0 4P 3 1 0.00 7.00 1.10 1.20 0.0 3D 3 2 10.00 0.00 1.10 1.45 0.0 3D 3 2 0.00 0.05 1.10 1.45 0.0 3.144420570877642e-5 3.183972512651800e-5 3.224021956608905e-5 3.264575160556048e-5 3.305638461013861e-5 3.347218274206583e-5 3.389321097064616e-5 3.431953508239695e-5 3.475122169132794e-5 3.518833824935015e-5 3.563095305681507e-5 3.607913527318685e-5 3.653295492784863e-5 3.699248293104472e-5 3.745779108496063e-5 3.792895209494201e-5 3.840603958085529e-5 3.888912808859077e-5 3.937829310171060e-5 3.987361105324338e-5 4.037515933762670e-5 4.088301632280044e-5 4.139726136245175e-5 4.191797480841430e-5 4.244523802322348e-5 4.297913339282929e-5 4.351974433946946e-5 4.406715533470429e-5 4.462145191261546e-5 4.518272068317103e-5 4.575104934575833e-5 4.632652670288714e-5 4.690924267406531e-5 4.749928830984887e-5 4.809675580606893e-5 4.870173851823730e-5 4.931433097613359e-5 4.993462889857571e-5 5.056272920837596e-5 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