As I know,ATAT can generate ground states,so I want to use the CE code to study a A-B system.However some compounds which are stable at high temperature are useful to us.So, can ATAT generate configurations considering temperature?
You need to run a monte carlo code using the generated cluster expansion to sample high-T properties. This is very standard - please have a look at the papers listed on the ATAT website.
https://alum.mit.edu/www/avdw/atat/
It’s the first non-commercial match if you type ATAT on Google…
Hi. Can you please post a link to the ATAT website here?
Thank you.