[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.
---
Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







More information about the users mailing list