On Wed, Apr 13, 2016 at 2:04 PM, Valentina Shvets < [email protected]> wrote:
I passed three days looking for the clue on the net > the clue is in your input file, not on the net: there is a missing line (or more than one). For instance, you have declared N atoms, atom types, k-point, but you have N-1 in your cards 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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