Inquiry Regarding Negative Magnon Frequencies in TB2J Calculation
陶冶
Dear Dr. He,
I hope this message finds you well. I have been learning to use the TB2J package to calculate magnon band, and I sincerely appreciate the development of this tool.
Recently, while calculating the magnon band for CrSb, I encountered negative frequencies in the magnon dispersion along certain high-symmetry paths. I have carefully checked my input files and computational parameters, but I am unsure about the possible cause of this issue. I was wondering if you could kindly provide some insights or suggestions on how to address this.
I have attached the relevant calculation files in this email. Also for convenience, I have put the magnon band figure in the end of this email. If there are any additional details I can provide, please let me know.
Thank you very much for your time and assistance. I truly admire your work and would be grateful for any guidance you can offer.
Best regards,
