[Pw_forum] The question about the .xml tag

Paolo Giannozzi p.giannozzi at gmail.com
Wed Apr 13 15:43:48 CEST 2016


On Wed, Apr 13, 2016 at 2:04 PM, Valentina Shvets <
valentinashvets58 at gmail.com> 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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