Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Cu Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 33. Ry Suggested minimum cutoff for charge density: 133. 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. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 1.50 2.200 2.300 -0.381791 4P 2 1 0.00 2.200 2.300 -0.066339 4P 2 1 0.00 2.200 2.300 -0.062941 3D 3 2 4.00 1.500 1.900 -0.536241 3D 3 2 5.50 1.500 1.900 -0.515523 Generation configuration: 4S 1 0 1.50 2.200 2.300 -0.381790 4S 1 0 0.00 1.400 2.300 6.100000 4P 2 1 0.00 2.200 2.300 -0.066340 4P 2 1 0.00 2.200 2.300 -0.062941 4P 2 1 0.00 1.400 2.300 6.300000 4P 2 1 0.00 1.400 2.300 6.300000 3D 3 2 4.00 1.500 1.900 -0.536239 3D 3 2 5.50 1.500 1.900 -0.515520 3D 3 2 0.00 1.500 1.900 2.300000 3D 3 2 0.00 1.500 1.900 2.300000 Pseudization used: troullier-martins title='Cu', zed=29., rel=2, config='[Ar] 3d9.5 4s1.5 4p0.0', iswitch=3, dft='PBESOL' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Cu.rel-pbesol-dn-kjpaw_psl.0.2.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='BESSEL', rmatch_augfun=1.8, nlcc=.true., rcore=0.7, tm=.true. / 6 4S 1 0 1.50 0.00 2.20 2.30 0.0 4S 1 0 0.00 6.10 1.40 2.30 0.0 4P 2 1 0.00 0.00 2.20 2.30 0.0 4P 2 1 0.00 6.30 1.40 2.30 0.0 3D 3 2 9.50 0.00 1.50 1.90 0.0 3D 3 2 0.00 2.30 1.50 1.90 0.0 3.144420570877642E-005 3.183972512651801E-005 3.224021956608904E-005 3.264575160556048E-005 3.305638461013862E-005 3.347218274206582E-005 3.389321097064616E-005 3.431953508239694E-005 3.475122169132795E-005 3.518833824935016E-005 3.563095305681507E-005 3.607913527318685E-005 3.653295492784862E-005 3.699248293104472E-005 3.745779108496062E-005 3.792895209494201E-005 3.840603958085529E-005 3.888912808859077E-005 3.937829310171060E-005 3.987361105324337E-005 4.037515933762670E-005 4.088301632280044E-005 4.139726136245175E-005 4.191797480841430E-005 4.244523802322348E-005 4.297913339282930E-005 4.351974433946946E-005 4.406715533470429E-005 4.462145191261545E-005 4.518272068317103E-005 4.575104934575833E-005 4.632652670288713E-005 4.690924267406531E-005 4.749928830984886E-005 4.809675580606892E-005 4.870173851823730E-005 4.931433097613360E-005 4.993462889857571E-005 5.056272920837597E-005 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