[Pw_forum] Inconsistent results of LDA+U calculation for v6.1 and v5.4

[Dmitry Korotin]

Dear QE developers,
I'm surprised that versions 6.1 and 5.4 (and, actually, 5.0.3) give
different result in the same lda+u calculations. Please find attached
one input file for NiO and two different out files. And a
bandstructure picture.
Was the LDA+U implementation changed some time ago?

(LDA results are the same for both version)

Thank you in advance,
Dmitry Korotin.

-- 


Best regards,
Dr. Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620990 Yekaterinburg
Russia
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