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The effect of pressure on the crystal structure

Posted: Fri Sep 19, 2014 8:07 am
by kambiz
Hi,

What is the right way to see the effect of pressure on the crystal structure (crystal shape) ? Adding PSTRESS = XX and ISIF = 3 to the INCAR ?

I appreciate for any suggestion.

Cheers

Re: The effect of pressure on the crystal structure

Posted: Thu Sep 12, 2024 7:39 am
by support_vasp

Hi,

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VASP