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Orlandoo Ortiz Jimenez

Excuse me, why abinit tool doesn’t work with “In” element?

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    Benjamin P Haley

    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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    Tayeb Bentria

    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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