Excuse me, why abinit tool doesn’t work with “In” element?
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Tayeb Bentria @ on
Hello Orlandooo
i think because Abinit in Hub take his Psp from LDA (Troullier-Martins) pseudopotential files and you want to use one of the rare element non exists in it
see the source page http://www.abinit.org/downloads/psp-links/psp-links/lda_tm
unfortunately you need another type of psp “i think”.
Sincerely.
Tayeb
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Benjamin P Haley @ on
The version of abinit installed on nanoHUB has a restricted set of pseudopotentials. In particular, we do not have an LDA potential for In, but we do have a GGA potential for In. If your problem can use GGA, you should be fine. If not, please submit a support ticket requesting an In LDA potential.
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