Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Na Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 66. Ry Suggested minimum cutoff for charge density: 323. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.0000 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 1.250 -4.157883 3S 2 0 1.00 1.000 1.250 -0.198812 2P 2 1 2.00 0.900 1.300 -2.114659 2P 2 1 4.00 0.900 1.300 -2.101545 Generation configuration: 2S 1 0 2.00 1.000 1.250 -4.157881 3S 2 0 1.00 1.000 1.250 -0.198813 2P 2 1 2.00 0.900 1.300 -2.114655 2P 2 1 4.00 0.900 1.300 -2.101538 3P 2 1 0.00 0.900 1.300 5.000000 3P 2 1 0.00 0.900 1.300 5.000000 Pseudization used: troullier-martins &input title='Na', zed=11., rel=2, config='[Ne] 3s1 3p0', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Na.rel-pbesol-spn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.0 which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.7, tm=.true. / 4 2S 1 0 2.00 0.00 1.00 1.25 0.0 3S 2 0 1.00 0.00 1.00 1.25 0.0 2P 2 1 6.00 0.00 0.90 1.30 0.0 3P 2 1 0.00 5.00 0.90 1.30 0.0 8.289836050495602e-5 8.394109351536565e-5 8.499694249241657e-5 8.606607241465944e-5 8.714865033581999e-5 8.824484541090081e-5 8.935482892261263e-5 9.047877430813740e-5 9.161685718622822e-5 9.276925538465042e-5 9.393614896796700e-5 9.511772026567440e-5 9.631415390069183e-5 9.752563681820879e-5 9.875235831489617e-5 9.999451006848348e-5 1.012522861677094e-4 1.025258831426484e-4 1.038154999954189e-4 1.051213382312780e-4 1.064436018901068e-4 1.077824975782921e-4 1.091382345010092e-4 1.105110244949104e-4 1.119010820612255e-4 1.133086243992772e-4 1.147338714404195e-4 1.161770458824022e-4 1.176383732241680e-4 1.191180818010873e-4 1.206164028206356e-4 1.221335703985206e-4 1.236698215952631e-4 1.252253964532379e-4 1.268005380341817e-4 1.283954924571711e-4 1.300105089370795e-4 1.316458398235178e-4 1.333017406402639e-4 1.349784701251897e-4 1.366762902706884e-4 1.383954663646120e-4 1.401362670317228e-4 1.418989642756666e-4 1.436838335214743e-4 1.454911536585968e-4 1.473212070844824e-4 1.491742797487023e-4 1.510506611976303e-4 1.529506446196855e-4 1.548745268911431e-4 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