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Gibb's Free enregy and Chemical Potential

Posted: Mon Sep 05, 2011 5:15 am
by sharma
I want to calculate the surface free energy find the stable surface termination. As I read we need to know Gibb's free energy and chemical Potential.

My question is "How can we calculate the Gibb's free energy and chemical potential from VASP?"

Is Free Energy (F) and Gibb's free energy Same in VASP? F = U-TS.

I want to calculate the stable surface termination in Pt3Ni(001), so i need the values for Pt and Ni.

I appreciate your valuable suggestions.

Thank you.

Sharma

Re: Gibb's Free enregy and Chemical Potential

Posted: Thu Sep 12, 2024 7:56 am
by support_vasp

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP