[Wien] How we calculate formation energy for a system

[Vivek Jain]

Dear All,

i am using FP-LAPW  calculation using WIEN2k for a Heusler system
Fe2-xCoMnAl. i want to calculate the formation energy for the phase
stability of system and find out which site it prefers Mn/Fe/Al site when
Co atom is added.

formation energy = total energy of Fe2-xCoMnAl -total energy of Fe - total
energy of Co- total energy of Mn - total energy of Al

When we run scf calculation which file give us information for total
energy, it is scf converged energy? or different process for the
calculation of total energy?


-- 
Warm Regards,
Vivek Kumar Jain
Department of Physics
MLSU Udaipur
08824670200
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