Dear Ari Paavo Seitsonen
Firsly thank you for your response.
I have tried again with K_POINTS (automatic) 4 4 3 1 1 1 on the scf
calculation, and (nq1=4, nq2=4, nq3=4) on the phonon's input file, these are
what i did, consequently the dynamicall matrix were calculated normally,
however it gaves me a wrong dispersion curve. I dont really understand what do
you mean with "try without shifting the k points, so without k1 = k2 = k3"???
why it displays me q-mesk break symmetry when i use (nq1=4, nq2=4, nq3=4) in
phonon's input file and not for (nq1=4, nq2=4, nq3=3).
I apreciate if i read your ancient PhD thesis but where can i find it?
Regards
Nh Ben
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20140422/210107a0/attachment.html