Hi!
I wonder how I can specifiy van der Waals interaction parameters for a specific element not in the data base.
For example,
LVDW = .TRUE.
VDW_C6 = .....
VDW_R0 = .......
But how can I specifiy that these are for a specific element, sya, Au?
how to specify van der Waals params for a specific element??
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jjhskang
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how to specify van der Waals params for a specific element??
Last edited by jjhskang on Mon Dec 10, 2012 3:55 am, edited 1 time in total.
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support_vasp
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Re: how to specify van der Waals params for a specific element??
Hi,
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