how to caculate AFM system by vasp+wannier90

[1638927697]

I encountered difficulties in caculating AFM materials by vasp+wannier90 . You mentioned that there is examples about vasp in ./examples , but I could't find it . Can you provide me with those sample files ? My email is 22036013@zju.edu.cn .Please forgive my poor English.

[mailhexu]

See https://github.com/mailhexu/TB2J_examples/tree/master/Wannier

Best wishes,
HeXu

[1638927697]

Thanks for your answer sincerely.Now I want to caculate the biquadratic exchange of materials ,but I could't understand how to caculate it after I read the manual .Or dose it must use TB2J-SIESTA ? Can you tell me where can I find relevant information?

[mailhexu]

Hello, The calculation of the biquadratic term is being removed from TB2J. In some cases from my test, the biquadratic exchange I get from the formalism implemented in TB2J doesn't look quite right. You can do a fitting of Jij(theta), where theta is the angle between the two magnetic atoms i and j, to get the bilinear and biquadratic exchanges. Best regards, HeXu

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On Mon, Jan 10, 2022 at 7:18 AM 1638927697 ***@***.***> wrote: Thanks for your answer sincerely.Now I want to caculate the biquadratic exchange of materials ,but I could't understand hou to caculate it after I read the manual .Or dose it must use TB2J-SIESTA ? Can you tell me where can I find relevant information? — Reply to this email directly, view it on GitHub <#13 (reply in thread)>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ABUNK3FIS6VHSWDJF2FYAMDUVJ23NANCNFSM5LO2NTRQ> . Triage notifications on the go with GitHub Mobile for iOS <https://apps.apple.com/app/apple-store/id1477376905?ct=notification-email&mt=8&pt=524675> or Android <https://play.google.com/store/apps/details?id=com.github.android&referrer=utm_campaign%3Dnotification-email%26utm_medium%3Demail%26utm_source%3Dgithub>. You are receiving this because you commented.Message ID: ***@***.***>