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Normal mode analysis

Posted: Fri Nov 15, 2013 7:37 pm
by younes
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

Re: Normal mode analysis

Posted: Thu Sep 12, 2024 8:03 am
by support_vasp

Hi,

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