[Pw_forum] missing q point

[Gabriele Sclauzero]

Mehrnaz Anvari wrote:
> 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. 

First of all, I don't understand why your k-point grid is not 2D (i.e. nkx, nky, 1) if you 
want to study graphite.

>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(?)     

Be carefull that until a recent change in the CVS version the ph.x was overwriting pw.x 
data in the .save directory, so that if you do successive ph.x calculations without making 
a copy of that directory it may not work.

Now I will try some of your problematic k-points grids and let oyu know if they work with 
the CVS version.

GS

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