On Wed, Apr 13, 2016 at 11:04 AM, Ari P Seitsonen <[email protected]> wrote:
> > I am not sure whether the phonon code could handle the translations it does, but they have to be present. In this specific case, fractional translations are discarded because they do not fit into the FFT grid (fractional translation b_3/2 requires that nr3 is even, but the value automatically chosen by the code is odd) Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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