Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Nd Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 38. Ry Suggested minimum cutoff for charge density: 202. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 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 5S 1 0 2.00 1.400 1.700 -3.249058 6S 2 0 1.50 1.400 1.700 -0.316644 5P 2 1 2.00 1.400 1.900 -2.020928 5P 2 1 4.00 1.400 1.900 -1.778973 6P 3 1 0.50 1.400 1.900 -0.133047 6P 3 1 0.00 1.400 1.900 -0.116814 5D 3 2 1.00 1.400 1.800 -0.264170 5D 3 2 0.00 1.400 1.800 -0.247039 Generation configuration: 5S 1 0 2.00 1.400 1.700 -3.249048 6S 2 0 1.50 1.400 1.700 -0.316643 5P 2 1 2.00 1.400 1.900 -2.020918 5P 2 1 4.00 1.400 1.900 -1.778958 6P 3 1 0.50 1.400 1.900 -0.133048 6P 3 1 0.00 1.400 1.900 -0.116812 5D 3 2 1.00 1.400 1.800 -0.264176 5D 3 2 0.00 1.400 1.800 -0.247030 5D 3 2 0.00 1.400 1.800 2.000000 5D 3 2 0.00 1.400 1.800 2.000000 Pseudization used: troullier-martins &input title='Nd', zed=60.0, rel=2, config='[Xe] 4f3.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Nd.rel-pz-spdn-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. / 6 5S 1 0 2.00 0.00 1.40 1.70 0.0 6S 2 0 1.50 0.00 1.40 1.70 0.0 5P 2 1 6.00 0.00 1.40 1.90 0.0 6P 3 1 0.50 0.00 1.40 1.90 0.0 5D 3 2 1.00 0.00 1.40 1.80 0.0 5D 3 2 0.00 2.00 1.40 1.80 0.0 1.519803275924194e-5 1.538920047781704e-5 1.558277279027637e-5 1.577877994268756e-5 1.597725256156700e-5 1.617822165866515e-5 1.638171863581231e-5 1.658777528982518e-5 1.679642381747517e-5 1.700769682051924e-5 1.722162731079395e-5 1.743824871537364e-5 1.765759488179350e-5 1.787970008333828e-5 1.810459902439763e-5 1.833232684588864e-5 1.856291913074672e-5 1.879641190948554e-5 1.903284166582679e-5 1.927224534240096e-5 1.951466034651958e-5 1.976012455602021e-5 2.000867632518502e-5 2.026035449073357e-5 2.051519837789135e-5 2.077324780653416e-5 2.103454309741024e-5 2.129912507844041e-5 2.156703509109747e-5 2.183831499686600e-5 2.211300718378319e-5 2.239115457306212e-5 2.267280062579824e-5 2.295798934976029e-5 2.324676530626665e-5 2.353917361714803e-5 2.383525997179791e-5 2.413507063431159e-5 2.443865245071505e-5 2.474605285628479e-5 2.505731988295954e-5 2.537250216684552e-5 2.569164895581584e-5 2.601481011720554e-5 2.634203614560362e-5 2.667337817074273e-5 2.700888796548844e-5 2.734861795392876e-5 2.769262121956556e-5 2.804095151360902e-5 2.839366326337623e-5 2.875081158079571e-5 2.911245227101866e-5 2.947864184113867e-5 2.984943750902117e-5 3.022489721224359e-5 3.060507961714846e-5 3.099004412801001e-5 3.137985089631629e-5 3.177456083016794e-5 3.217423560379515e-5 3.257893766719445e-5 3.298873025588660e-5 3.340367740079731e-5 3.382384393826223e-5 3.424929552015765e-5 3.468009862415883e-5 3.511632056412723e-5 3.555802950062847e-5 3.600529445158257e-5 3.645818530304808e-5 3.691677282014195e-5 3.738112865809672e-5 3.785132537345679e-5 3.832743643541559e-5 3.880953623729522e-5 3.929770010817055e-5 3.979200432463956e-5 4.029252612274172e-5 4.079934371002638e-5 4.131253627777265e-5 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