Hi ATAT users
Could someone help me how to calculate magnetic free energy with fmag?
Regards
Masoud Rahbar Niazi
Sorry, fmag uses a very approximate method (mean field approximation) and is not very well automated.
You have to specify the specie that is magnetic (-ma) its spin (-sp), which you can get from the magnetic moment per atom and the coupling constant (-cc) which you can get by comparing the energy of ferromagnetic and antiferromagnetic runs on the same structure.