Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Si Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 44. Ry Suggested minimum cutoff for charge density: 175. 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 3S 1 0 2.00 1.600 1.800 -0.790311 3P 2 1 2.00 1.600 1.800 -0.298826 3P 2 1 0.00 1.600 1.800 -0.296509 Generation configuration: 3S 1 0 2.00 1.600 1.800 -0.790306 3S 1 0 0.00 1.600 1.800 6.000000 3P 2 1 2.00 1.600 1.800 -0.298829 3P 2 1 0.00 1.600 1.800 -0.296506 3P 2 1 0.00 1.600 1.800 6.000000 3P 2 1 0.00 1.600 1.800 6.000000 3D 3 2 0.00 1.600 1.800 0.100000 3D 3 2 0.00 1.600 1.800 0.100000 3D 3 2 0.00 1.600 1.800 0.300000 3D 3 2 0.00 1.600 1.800 0.300000 Pseudization used: troullier-martins &input title='Si', zed=14., rel=2, config='[Ne] 3s2 3p2 3d-1', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Si.rel-pbesol-n-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=1.3, tm=.true. / 6 3S 1 0 2.00 0.00 1.60 1.80 0.0 3S 1 0 0.00 6.00 1.60 1.80 0.0 3P 2 1 2.00 0.00 1.60 1.80 0.0 3P 2 1 0.00 6.00 1.60 1.80 0.0 3D 3 2 0.00 0.10 1.60 1.80 0.0 3D 3 2 0.00 0.30 1.60 1.80 0.0 6.513442611103688e-5 6.595371633350158e-5 6.678331195832730e-5 6.762334261151813e-5 6.847393954957285e-5 6.933523567999349e-5 7.020736558205277e-5 7.109046552782223e-5 7.198467350346503e-5 7.289012923079676e-5 7.380697418911693e-5 7.473535163731562e-5 7.567540663625786e-5 7.662728607144977e-5 7.759113867598986e-5 7.856711505380845e-5 7.955536770320024e-5 8.055605104065231e-5 8.156932142497196e-5 8.259533718171841e-5 8.363425862794104e-5 8.468624809722948e-5 8.575146996507863e-5 8.683009067457247e-5 8.792227876239147e-5 8.902820488514639e-5 9.014804184604388e-5 9.128196462188747e-5 9.243015039041770e-5 9.359277855799714e-5 9.477003078764225e-5 9.596209102740904e-5 9.716914553913526e-5 9.839138292754408e-5 9.962899416971421e-5 1.008821726449201e-4 1.021511141648482e-4 1.034360170041925e-4 1.047370819316359e-4 1.060545122412205e-4 1.073885137841123e-4 1.087392950007666e-4 1.101070669534965e-4 1.114920433594523e-4 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