Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: La Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 75. Ry Suggested minimum cutoff for charge density: 537. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.600 1.700 -2.902390 6S 2 0 1.50 1.600 1.700 -0.293520 5P 2 1 6.00 1.600 2.000 -1.687303 6P 3 1 0.50 1.600 2.000 -0.118725 5D 3 2 1.00 1.600 2.000 -0.259988 4F 4 3 0.00 1.000 1.500 -0.360599 Generation configuration: 5S 1 0 2.00 1.600 1.700 -2.902417 6S 2 0 1.50 1.600 1.700 -0.293526 5P 2 1 6.00 1.600 2.000 -1.687322 6P 3 1 0.50 1.600 2.000 -0.118727 5D 3 2 1.00 1.600 2.000 -0.260001 5D 3 2 -2.00 1.600 2.000 2.000000 4F 4 3 0.00 1.000 1.500 -0.360661 4F 4 3 -2.00 1.000 1.500 0.200000 Pseudization used: troullier-martins &input title='La', zed=57.0, rel=1, config='[Xe] 4f0.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='La.pbe-spfn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.0, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.1, tm=.true. / 8 5S 1 0 2.00 0.00 1.60 1.70 0.0 6S 2 0 1.50 0.00 1.60 1.70 0.0 5P 2 1 6.00 0.00 1.60 2.00 0.0 6P 3 1 0.50 0.00 1.60 2.00 0.0 5D 3 2 1.00 0.00 1.60 2.00 0.0 5D 3 2 -2.00 2.00 1.60 2.00 0.0 4F 4 3 0.00 0.00 1.00 1.50 0.0 4F 4 3 -2.00 0.20 1.00 1.50 0.0 1.599792922025467e-5 1.619915839770214e-5 1.640291872660671e-5 1.660924204493428e-5 1.681816059112315e-5 1.702970700912121e-5 1.724391435348664e-5 1.746081609455283e-5 1.768044612365808e-5 1.790283875844131e-5 1.812802874820416e-5 1.835605127934068e-5 1.858694198083527e-5 1.882073692982977e-5 1.905747265726067e-5 1.929718615356699e-5 1.953991487447023e-5 1.978569674682688e-5 2.003457017455451e-5 2.028657404463259e-5 2.054174773317849e-5 2.080013111160023e-5 2.106176455282633e-5 2.132668893761430e-5 2.159494566093827e-5 2.186657663845701e-5 2.214162431306341e-5 2.242013166151622e-5 2.270214220115523e-5 2.298769999670105e-5 2.327684966714020e-5 2.356963639269696e-5 2.386610592189287e-5 2.416630457869504e-5 2.447027926975437e-5 2.477807749173477e-5 2.508974733873464e-5 2.540533750980168e-5 2.572489731654216e-5 2.604847669082609e-5 2.637612619258899e-5 2.670789701773213e-5 2.704384100612194e-5 2.738401064969004e-5 2.772845910063539e-5 2.807724017972919e-5 2.843040838472468e-5 2.878801889887239e-5 2.915012759954271e-5 2.951679106695686e-5 2.988806659302762e-5 3.026401219031127e-5 3.064468660107227e-5 3.103014930646176e-5 3.142046053581176e-5 3.181568127604588e-5 3.221587328120890e-5 3.262109908211581e-5 3.303142199612241e-5 3.344690613701889e-5 3.386761642504753e-5 3.429361859704678e-5 3.472497921672274e-5 3.516176568504980e-5 3.560404625080235e-5 3.605189002121858e-5 3.650536697279877e-5 3.696454796223920e-5 3.742950473750364e-5 3.790030994903430e-5 3.837703716110324e-5 3.885976086330731e-5 3.934855648220708e-5 3.984350039311240e-5 4.034466993201642e-5 4.085214340767918e-5 4.136600011386374e-5 4.188632034172585e-5 4.241318539235969e-5 4.294667758950144e-5 4.348688029239225e-5 4.403387790880348e-5 4.458775590822559e-5 4.514860083522281e-5 4.571650032295612e-5 4.629154310687583e-5 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