[Wien] mBJ doubt

[Rafael Barros barros]

Dear Wien2k users,

I am a new user of Wien2k package and I have some doubts about the mBJ
method.

Actually, I would like to perform mBJ calculations in LiFePO4 and FePO4
materials for lithium cathode battery applications and analyze the
deintercalation lithium potential predicted by this method. For this
proposal it is necessary  to  compare their total energies. However, the
paper PHYSICAL REVIEW B 85, 205108 (2012) from Walid Hetaba, Peter Blaha,
Fabien Tran, and Peter Schattschneider states that it is not possible to
compare total energies with this method.

In that sense, i would kindly ask you to clarify if are there some physical
mistake in compare the total energy of these materials using mBJ in order
to understand the lithium deintercalation potential?  could you please
quickly clean my doubt?

Regards,

Rafael Araujo
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