Dear QE community and Dear Dr Matteo, I have succedded to calculte the U parameters for some compounds including double perovskite.
I've found for Ba2MgWO6 : U for W=2.65 ev and U for O =14ev Now I've apply this values to get the energy band gap and I found it 5ev while the experimental one is 3.5ev, I think it's a strange result about the overestimating the band gap while it's known that DFT underestimate it. I Think that the root cause of that issue is the Hubbard of U of oxygen which is double counted because O is only bonded to W with 50% ratio. I've apply U for O = 7 and i get best result (Eg=3.2ev). What do think about my logic -- والله ولي التوفيق يوسف أحربيل
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