[Pw_forum] missing q point

Mehrnaz Anvari anvari_meh at physics.iust.ac.ir
Mon Jun 15 06:34:45 CEST 2009


I used new version of pakage (espresso-4.0.5) as you told me & the error was 
disappeared. I performed Eyvaz suggestion too, I mean that I used different 
grids (for nq1,nq2,nq3) for instance 2 2 2 , 4 4 4, 4 4 2,...but the error 
existed  in all of these cases. Finally I couldn't understand main reason of 
this error. when I open the dyn0 file I see only kpoints with high symmetry, 
so it means that the program could indicate the symmetry of system but in 
the following it could'nt keep all of them it is so strange(?)     
 
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