Questions about mBJ band and fermi surface

Queries about input and output files, running specific calculations, etc.


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fabien_tran1
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Re: Questions about mBJ band and fermi surface

#16 Post by fabien_tran1 » Wed Oct 08, 2025 7:28 am

Thanks for these data. I can only mention that magnetic systems with f-electrons can be very difficult cases for DFT, from both the theoretical (is DFT really adapted?) and technical (multiple minima, difficulty to converge, etc.) points of view.


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