[Pw_forum] problem with q2r.x

Halima Zaari halimazaari at gmail.com
Wed Jun 18 14:37:27 CEST 2014


Dear quantum espresso code users
i tried to compute the elctron-phon coupling using the pw.x , ph.x and
q2r.x i get this errors:

 q-space grid ok, #points =   32

      fft-check success (sum of imaginary terms < 10^-12)

   Preparing gamma for a2F


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from init : error #         1
      nc already filled: wrong q grid or wrong nr
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

could you help me pleaze
cordially
-- 
H.ZAARI
PhD Student in laboratory of magnetism and physics of high energy
Faculty of Sciences in Rabat - Morocco
Email:
* halimazaari at gmail.com <boujnah.mourad at gmail.com>*
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