How to set up HTE?

Alloy Theoretic Automated Toolkit (ATAT)
1

Hi all:

I have a short question. How do we set up HTE by phb? I do not know the chemical potential at high temperature. So how to do this?

Thanks for your help!

2

Indeed phb does not give the option of using HTE to set the initial chemical potential.
One way to do this is to run emc2 at a high T (and that program does let you use the HTE), get the grand canonical potential (phi) curve as a function of chem pot (mu) for the two phases of interest. Where the phi(mu) curve intersect will give you the right chem pot at that temperature.

3

Thank you for your help!