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!!!
about high pressure calculation
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GUAN
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about high pressure calculation
Last edited by GUAN on Mon Nov 17, 2008 5:12 am, edited 1 time in total.
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support_vasp
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Re: about high pressure calculation
Hi,
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