[Pw_forum] ph.x, q2r.x and low symmetries
Paolo Giannozzi
giannozz at democritos.it
Sat Jan 14 16:47:22 CET 2012
On Jan 14, 2012, at 7:59 , W2AGZ wrote:
> I’m getting (...) errors after the ph.x step from q2r.x to wit: “nc
> already filled: wrong q grid or wrong nr”and, yes, nq = 2 and there
> is no xq.
>
no way to say anyrthing sensible without a (simple!) example
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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