Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Cu Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 236. 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 4S 1 0 1.50 1.300 2.100 -0.380902 4P 2 1 0.00 1.300 2.100 -0.069744 4P 2 1 0.00 1.300 2.100 -0.066499 3D 3 2 4.00 1.300 1.800 -0.534223 3D 3 2 5.50 1.300 1.800 -0.513527 Generation configuration: 4S 1 0 1.50 1.300 2.100 -0.380900 4S 1 0 0.00 1.300 2.100 6.100000 4P 2 1 0.00 1.300 2.100 -0.069745 4P 2 1 0.00 1.300 2.100 -0.066499 4P 2 1 0.00 1.300 2.100 6.300000 4P 2 1 0.00 1.300 2.100 6.300000 3D 3 2 4.00 1.300 1.800 -0.534220 3D 3 2 5.50 1.300 1.800 -0.513523 3D 3 2 0.00 1.300 1.800 -0.200000 3D 3 2 0.00 1.300 1.800 -0.200000 Pseudization used: troullier-martins &input title='Cu', zed=29., rel=2, config='[Ar] 4s1.5 4p0 3d9.5', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Cu.rel-pbe-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=1.0, tm=.true. / 6 4S 1 0 1.50 0.00 1.30 2.10 0.0 4S 1 0 0.00 6.10 1.30 2.10 0.0 4P 2 1 0.00 0.00 1.30 2.10 0.0 4P 2 1 0.00 6.30 1.30 2.10 0.0 3D 3 2 9.50 0.00 1.30 1.80 0.0 3D 3 2 0.00 -0.20 1.30 1.80 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 5.119873004748575e-5 5.184273079233009e-5 5.249483206933558e-5 5.315513577065345e-5 5.382374507008043e-5 5.450076443917991e-5 5.518629966360566e-5 5.588045785963127e-5 5.658334749088709e-5 5.729507838530806e-5 5.801576175229451e-5 5.874551020008876e-5 5.948443775337042e-5 6.023265987107310e-5 6.099029346442486e-5 6.175745691521621e-5 6.253427009429707e-5 6.332085438030713e-5 6.411733267864141e-5 6.492382944065438e-5 6.574047068310609e-5 6.656738400785205e-5 6.740469862178161e-5 6.825254535700678e-5 6.911105669130480e-5 6.998036676881841e-5 7.086061142101583e-5 7.175192818791482e-5 7.265445633957358e-5 7.356833689785200e-5 7.449371265844671e-5 7.543072821320292e-5 7.637952997270748e-5 7.734026618916563e-5 7.831308697956575e-5 7.929814434913572e-5 8.029559221509357e-5 8.130558643069769e-5 8.232828480959908e-5 8.336384715050013e-5 8.441243526212357e-5 8.547421298849510e-5 8.654934623454478e-5 8.763800299202959e-5 8.874035336578274e-5 8.985656960029305e-5 9.098682610661799e-5 9.213129948963623e-5 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