[QE-developers] question

[Zahra Mosleh]

Hi 

I am trying to run ACBN0 calculation for NiO to get the Hubbard
parameter. Since Ni has an anti-ferromagnetic structure,  in the input
file, there should be set two Ni atoms, namely Ni1 and Ni2. They are
equivalent except that they have different magnetic moment directions.
Unfortunately, ACBN0 gives two different Hubbard parameters for Ni1 and
Ni2 (data is attached to this message). 

 Could  you suggest me the solution for this problem? 

Thank in advance, 

Zahra
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