[Pw_forum] Problem with phonons circumvented

[Stefano de Gironcoli]

Hi,
could you post your inputs (of pw.x and ph.x) and the two lists of q-points
(the one produced by ph.x and the one accepted by q2r.x) ?
all the best,
stefano de Gironcoli 

Quoting Katalin Gaal-Nagy <katalin.gaal-nagy at physik.uni-regensburg.de>:
> Dear Eyvaz, dear all,
> 
> some time ago I posted a problem with some phonon calculation. I had some 
> additional dynamical matrices in the files which yield an error of q2r.x 
> "q-point not allowed". Here just some notes how I solved it for me.
> 
> I circumvented this problem by removing the "not allowed" matrices and 
> everything worked well. My first attempt (as I wrote) failed due to the 
> fact that I removed by accidence also one "allowed" point, and this one 
> was missing then.
> 
> Thus, q2r.x is working properly as expected.
> 
> As I wrote, I circumvented the problem for me, I didn't solve it.
> It seems to be, that the ph.x finds some equivalent q points which q2r.x 
> doesn't accept. They differ from the original one just by some "-".
> If someone is interested in solving this problem (if it is really a 
> problem ...), then I would like to help if it is possible.
> 
> All the best,
> Katalin
> 
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