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conquest/pseudo-and-pao/PBE/Sc/Conquest_ion_input

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Added complete set of input files for ion file generation These are based off the v0.4 PseudoDojo files, with Conquest pot files generated by Hamann's ONCVPSP v3.3.1. La and Lu were both adjusted to remove the f orbitals into the core. Most Conquest_input files are default; there are a few tweaks. These require version 1.0.3 of the MakeIonFiles utility
2019-12-17 23:42:51 +08:00
General.NumberOfSpecies 1
%block SpeciesLabels
1 Sc
%endblock
%block Sc
Atom.PseudopotentialFile Sc.in
Atom.VKBFile Sc.pot
Atom.BasisSize medium
%endblock