about high pressure calculation
Posted: Mon Nov 17, 2008 5:12 am
I am a novice of VASP. I want to do some calculation under high pressure: such as the structure evolution or phase transfermation under high pressure. Can somebody give me some advice, such as the flow of this kind calculation.
the simply questions: how to set the pressure? does the "external pressure" will be the pressure?
Thank you very much!!!
the simply questions: how to set the pressure? does the "external pressure" will be the pressure?
Thank you very much!!!