Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Ge Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 42. Ry Suggested minimum cutoff for charge density: 239. 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 2.00 1.300 1.700 -0.855671 4P 2 1 2.00 1.800 1.900 -0.290260 4P 2 1 0.00 1.800 1.900 -0.276470 3D 3 2 4.00 1.300 1.700 -2.168092 3D 3 2 6.00 1.300 1.700 -2.125084 Generation configuration: 4S 1 0 2.00 1.300 1.700 -0.855666 4S 1 0 0.00 1.300 1.700 6.000000 4P 2 1 2.00 1.800 1.900 -0.290262 4P 2 1 0.00 1.800 1.900 -0.276467 4P 2 1 0.00 1.800 1.900 6.000000 4P 2 1 0.00 1.800 1.900 6.000000 3D 3 2 4.00 1.300 1.700 -2.168089 3D 3 2 6.00 1.300 1.700 -2.125081 3D 3 2 0.00 1.300 1.700 0.050000 3D 3 2 0.00 1.300 1.700 0.050000 Pseudization used: troullier-martins &input title='Ge', zed=32., rel=2, config='[Ar] 4s2 4p2 3d10', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ge.rel-pbesol-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=1.2, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 1.70 0.0 4S 1 0 0.00 6.00 1.30 1.70 0.0 4P 2 1 2.00 0.00 1.80 1.90 0.0 4P 2 1 0.00 6.00 1.80 1.90 0.0 3D 3 2 10.00 0.00 1.30 1.70 0.0 3D 3 2 0.00 0.05 1.30 1.70 0.0 2.849631142357863e-5 2.885475089590694e-5 2.921769898176819e-5 2.958521239253918e-5 2.995734855293812e-5 3.033416560999715e-5 3.071572244214808e-5 3.110207866842223e-5 3.149329465776595e-5 3.188943153847358e-5 3.229055120773866e-5 3.269671634132558e-5 3.310799040336282e-5 3.352443765625928e-5 3.394612317074555e-5 3.437311283604120e-5 3.480547337015010e-5 3.524327233028539e-5 3.568657812342523e-5 3.613546001700180e-5 3.658998814972420e-5 3.705023354253790e-5 3.751626810972190e-5 3.798816467012545e-5 3.846599695854628e-5 3.894983963725155e-5 3.943976830764420e-5 3.993585952207575e-5 4.043819079580775e-5 4.094684061912375e-5 4.146188846959348e-5 4.198341482449147e-5 4.251150117337168e-5 4.304623003080053e-5 4.358768494924997e-5 4.413595053215255e-5 4.469111244712108e-5 4.525325743933424e-5 4.582247334509072e-5 4.639884910553397e-5 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