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Phonon frequencies along directions in the BZ

Posted: Wed Mar 17, 2010 2:34 pm
by boris
Dear all,

I would like to know how if it is possible to compute vibrational frequencies along specific directions of the BZ, let's say Gamma-X for instance.

For IBRION=5 or 6, it is written in the manual that "Only zone centered (Gamma-point) frequencies are calculated automatically". Is it the same for IBRION = 7 or 8?

For large supercell calculations, the BZ is much smaller, does it mean that the Gamma-point frequencies are sufficient? Just like it works for the kpoint grids?

Thank you for your anwsers.

Regards.

Re: Phonon frequencies along directions in the BZ

Posted: Wed Sep 11, 2024 2:16 pm
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP