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 PSX PSC Suggested minimum cutoff for wavefunctions: 37. Ry Suggested minimum cutoff for charge density: 146. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.1000 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 -1.003132 2P 2 1 2.00 1.000 1.450 -0.384657 Generation configuration: 2S 1 0 2.00 1.000 1.300 -1.003125 2S 1 0 0.00 1.000 1.300 0.050000 2P 2 1 2.00 1.000 1.450 -0.384655 2P 2 1 0.00 1.000 1.450 0.050000 3D 3 2 -2.00 1.100 1.100 0.100000 Pseudization used: troullier-martins &input title='C', zed=6, rel=1, config='[He] 2s2 2p2 3d-2', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='C.pbesol-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 1.538920047781704e-4 1.558277279027637e-4 1.577877994268757e-4 1.597725256156700e-4 1.617822165866515e-4 1.638171863581231e-4 1.658777528982519e-4 1.679642381747517e-4 1.700769682051924e-4 1.722162731079395e-4 1.743824871537364e-4 1.765759488179350e-4 1.787970008333828e-4 1.810459902439763e-4 1.833232684588864e-4 1.856291913074672e-4 1.879641190948554e-4 1.903284166582679e-4 1.927224534240096e-4 1.951466034651958e-4 1.976012455602021e-4 2.000867632518502e-4 2.026035449073358e-4 2.051519837789135e-4 2.077324780653416e-4 2.103454309741024e-4 2.129912507844041e-4 2.156703509109747e-4 2.183831499686600e-4 2.211300718378320e-4 2.239115457306212e-4 2.267280062579823e-4 2.295798934976029e-4 2.324676530626665e-4 2.353917361714803e-4 2.383525997179791e-4 2.413507063431159e-4 2.443865245071505e-4 2.474605285628478e-4 2.505731988295954e-4 2.537250216684553e-4 2.569164895581584e-4 2.601481011720554e-4 2.634203614560362e-4 2.667337817074274e-4 2.700888796548845e-4 2.734861795392876e-4 2.769262121956557e-4 2.804095151360902e-4 2.839366326337623e-4 2.875081158079571e-4 2.911245227101866e-4 2.947864184113868e-4 2.984943750902116e-4 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