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about full pressure

Posted: Tue Jun 19, 2012 10:12 am
by slava_0812
Dear VASP users!

We have a some problem. After full relaxation (IBRION =2, ISIF = 3, ISMEAR =-5, Monchorst-Pack mesh) we obtain external pressure 3.7kb, then we have calculated dynamic with the same parameters and with IBRION =8 for this relaxed structure and have obtained external pressure -10kb. And for the phonon in GAMMA-point we haven't acoustic mode.. What is meen and what we do wrong?

<span class='smallblacktext'>[ Edited ]</span>

Re: about full pressure

Posted: Thu Sep 12, 2024 7:27 am
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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