[Wien] Comparison of total energy from mBJ calculations

[shivaprasad shastri]

Dear Prof. Peter Blaha,

I am using mBJ exchange potential to perform calculations on Heusler
compounds in Wien2k 16.1. My question is, Is it correct , for instance, to
compare the total energies of ferromagnetic and anti-ferromagnetic state of
the same compound to know the right ground state of the system.


Thank you.





Shivprasad Shastri
Project Associate,
School of Engineering,
IIT Mandi.
Himachal Pradesh.
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