Dear all:
I need to adjust pressure deviation in the vasp simulations. In order to consider the LDA overbinding. static calculation is needed. But how to understand the real physical meaning of vasp static calculation? Could anyone tell me where I can get clear idea on that? I know VASP documentation showed me how to do static calculation, but nothing about its physical meaning. Thank you very much.
lqz
static calculations
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lqzhang
static calculations
Last edited by lqzhang on Sat Mar 26, 2011 3:16 pm, edited 1 time in total.
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alex
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static calculations
A static calculation does not contain kinetic energy (like MD has). The atoms are also in their energy minimum position after optimsation.
Cheers,
alex
Cheers,
alex
Last edited by alex on Tue Mar 29, 2011 7:02 am, edited 1 time in total.