[Pw_forum] DFT+U convergence

[Zarah Baiyee]

Dear All,

I am working on a perovskite system, BaFeO3, and trying to include a
hubbard correction for the Fe cation, yet struggling with convergence. I
have read on previous posts, that convergence can be difficult using the
pbe x-change correlation, therefore I have tried both with my initial pbe
PPs and LDA PPs yet still struggling.

Please find attached, the input files any advice would be much appreciated.

Kind Regards

Zarah
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