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
Gibb's Free enregy and Chemical Potential
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sharma
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Gibb's Free enregy and Chemical Potential
Last edited by sharma on Mon Sep 05, 2011 5:15 am, edited 1 time in total.
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support_vasp
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Re: Gibb's Free enregy and Chemical Potential
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