How can I apply strain?
Posted: Fri Jan 24, 2014 4:20 am
I want to calculate ab-biaxial strain.
For this, I have to relax c-axis and all atom coordinate.
But in VASP, ISIF = 2 fix all cell constant
and ISIF = 3 relax all cell constant.
How can I solve this problem?
I really appreciate your help.
For this, I have to relax c-axis and all atom coordinate.
But in VASP, ISIF = 2 fix all cell constant
and ISIF = 3 relax all cell constant.
How can I solve this problem?
I really appreciate your help.