[Pw_forum] phonon frequencies ....
nkxirainbow at gmail.com
Tue Jul 22 03:20:31 CEST 2014
The number of modes at every k point must be 3*n.(n is the number of atoms)
Please check your output file carefully.
On Tue, Jul 22, 2014 at 2:13 AM, Shyam Khambholja
<physik.shyam at gmail.com> wrote:
> Dear users,
> while calculating phonon frequencies at high pressure, some modes in optical
> branches disappear. can anybody tell me why this happen ? or is it my
> calculation error ?
> Thanks & regards,
> Dr. Shyam G Khambholja,
> Indus University
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> Pw_forum at pwscf.org
School of physics, Henan University of Science and Technology, Henan, China
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