How to calculate bulk Chemical Potential?
bharats... at gmail.com
Fri Oct 26 17:14:48 CEST 2012
I am sorry for off question to this group. But I want to calculate the
surface termination of the metal surface. To calculate surface free energy,
we need to have chemical potential of metal. Can anyone have an experience
to calculate the bulk chemical potential of metal? for example Pt/Ni/Pd. is
it Total energy of bulk system divided by # of atoms? For Pt, there are 4
atoms per unit cell, then chemical potential of Pt will be Total energy
with 4 atoms divided by 4. Please correct me, if I am wrong.
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