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calculate interactions with scdm method
Dear sir I am using VASP + Wannier90 + TB2J to calculate magnetic interactions, and I found that the WF centers obtained using the SCDM method are not ideal and not around the atoms. I would like to know if this is because the SCDM method cannot control the WF centers, or if there are other parameters that can control them?
Thank you very much for your attention and support.
Sincerely, JiuYin Li