The effect of pressure on the crystal structure
Posted: Fri Sep 19, 2014 8:07 am
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
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