Wrong magnetizaiton values when simulating the curie temperature

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An Yang

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Oct 20, 2025, 2:32:54 PM (13 days ago) Oct 20
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Dear TB2J developpers and users,

 

I used the latest version of TB2J  to calculate the exchange coupling parameters of CeFe2 which were calculated by Vasp and Wannier90.

The J values are not small but when I simulate the curie temperature i get very low values of mean-magnetization length, and material-magnetisation seems wired.

I used primitive cell CeFe2.cif with 6 atoms.

I sincerely hope for your guidance.



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