Command in emc2

Alloy Theoretic Automated Toolkit (ATAT)
1

I want to get the miscibility gap of a bcc binary system by the Monte Carlo simulations. For my system, there are only two bcc ground states as prediected by maps. Can anyone give me some information about how to set the command in emc2 or phb to get the phase separation curve in the phase diagram.

Thanks,

wzchen

2

Many thanks for your kind reply :slight_smile:

3

Something like

phb -keV -gs1=0 gs2=0 -dx=1e-3 -lte=1e-2 -dT=50 -er=35

You may need to adjust some values - see phb -h for more information.