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attempt frequency calculation by vasp and phonopy

Posted: Sat Aug 19, 2017 9:17 am
by ljzhang123
Dear colleagues
Does anyone who is familiar to the phonon vibration frequency calculation, I use it to calculate the frequency of Gamma point by the codes integrated in vasp package for only one atom, while I also use the phonopy codes calculated the forces acting on one atom and then diagonalize the force constant, but the calculated results by phonopy is 6 times of that by default calculation by vasp.
Thank you very much!

Re: attempt frequency calculation by vasp and phonopy

Posted: Wed Sep 11, 2024 3:44 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.

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VASP