Dear Siesta users, does anybody has an utility to share which takes Ei(ai) as input and performs fitting to Murnaghan equation of state E(V) and reports E0, a0, B0?
Regards Ruslan
Dear Siesta users, does anybody has an utility to share which takes Ei(ai) as input and performs fitting to Murnaghan equation of state E(V) and reports E0, a0, B0?
Regards Ruslan