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Can we calculate exchange interaction parameters using mcsolver code? #35

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SakshiGoel111 opened this issue May 2, 2024 · 1 comment
Open

Can we calculate exchange interaction parameters using mcsolver code? #35

SakshiGoel111 opened this issue May 2, 2024 · 1 comment

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@SakshiGoel111
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Hii all, I have to calculate Neel temperature for my system and it require exchange interaction parameters. Does mcsolver calculate exchange interaction parameters or how can I calculate them? Please help me.
@golddoushi
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No the code cannot compute the exchange interactions. You may find the parameters in literature, or compute them via DFT. See dio: 10.1021/acs.jpclett.0c01911

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@golddoushi @SakshiGoel111