[Pw_forum] Ph.x problem. No results. Wrong irreducible representations number.
Paolo Giannozzi
giannozz at democritos.it
Sun Sep 11 17:45:37 CEST 2011
On Sep 10, 2011, at 18:55 , Kacper Drużbicki wrote:
> However, when I turned into bigger system, with the 186 atomic unit
> cell
a phonon calculation for such a big cell will take a serious amount
of time.
You should try to estimate it from smaller calculations.
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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