Hi there, I'm now trying different DFT+U schemes for my simulation system, such as DFT+U+V, DFT+U+J, etc. . I'm trying SCF calculation, relaxation with pw.x and optimizing U and V parameters with hp.x. However, I found that for lots of functions, the force calculation is not implemented yet and hp.x does not support the calculation of certain parameters such as J and B.
So I'm wondering if there's any list showing current supported functions of DFT+U so that I do not need to try everything one by one. Or is there any future plan about implementing these functions? Regards, Kefan Chen Department of Material Science and Engineering Sichuan University
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