[Pw_forum] Imaginary Frequency

[Myungchul Jung]

Hi users,

In ABO3 structure, I consider an Osomate system.
I used a PBE-pseudopotential.
ecut = 40 Ry, ecutrho=400 Ry.
First I used k-mesh 14*14*14 and q-mesh 2*2*2, then I got the imaginary
freq.
So, I used k-mesh 20*20*20 and q-mesh 2*2*2, then I didn't get the freq.
But, when I used 4*4*4 q-mesh, I got a imaginary freq again.
How I do to solve this problem?

Sincerely,
Myung-Chul.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20131118/80d7c28b/attachment.html>