Hello
I need to do normal mode analysis using DFT in VASP to calculate zero point energy and entropies for calculating DeltaG. I know that I need to fix all the atoms in the slab but not the H atom expected to adsorb on surface N atom.
But what kind of tag should I have in the INCAR file?
Regards
Normal mode analysis
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younes
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Normal mode analysis
Last edited by younes on Fri Nov 15, 2013 7:37 pm, edited 1 time in total.
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support_vasp
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Re: Normal mode analysis
Hi,
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