[Pw_forum] Problem with phonons circumvented

[Katalin Gaal-Nagy]

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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, >>>>>>>    katalin.gaal-nagy at physik.uni-regensburg.de    <<<<<<< ,
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, >>>>>>>      Don't dream your life, live your dream      <<<<<<< ,
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