Generated using "atomic" code by A. Dal Corso v.6.3 Author: Lorenzo Paulatto Generation date: 6Sep2018 Pseudopotential type: PAW Element: C Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 37. Ry Suggested minimum cutoff for charge density: 147. Ry The Pseudo was generated with a Fully-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.1000 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 2S 1 0 2.00 1.000 1.300 -1.010374 2P 2 1 2.00 1.000 1.450 -0.388635 2P 2 1 0.00 1.000 1.450 -0.387999 Generation configuration: 2S 1 0 2.00 1.000 1.300 -1.010368 2S 1 0 0.00 1.000 1.300 0.050000 2P 2 1 2.00 1.000 1.450 -0.388638 2P 2 1 0.00 1.000 1.450 -0.387996 2P 2 1 0.00 1.000 1.450 0.050000 2P 2 1 0.00 1.000 1.450 0.050000 3D 3 2 -2.00 1.100 1.100 0.100000 3D 3 2 0.00 1.100 1.100 0.100000 Pseudization used: troullier-martins &input title='C', zed=6, rel=2, config='[He] 2s2 2p2 3d-2', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='C.rel-pbe-n-kjpaw_psl.0.1.UPF', author='Lorenzo Paulatto', lloc=2, which_augfun ='BESSEL', rmatch_augfun=1.1, nlcc=.true., new_core_ps=.true., rcore=0.8, tm=.true. / 5 2S 1 0 2.00 0.00 1.00 1.30 0.0 2S 1 0 0.00 0.05 1.00 1.30 0.0 2P 2 1 2.00 0.00 1.00 1.45 0.0 2P 2 1 0.00 0.05 1.00 1.45 0.0 3D 3 2 -2.00 0.10 1.10 1.10 0.0 1.519803275924194e-4 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