Inquiry about Projected Band Structure Calculation in OpenMX |
- Date: 2026/01/08 11:07
- Name: Youtao Xu
<231070091@hdu.edu.cn>
- Dear OpenMX Developers,
I hope this email finds you well. I am writing to inquire about the possibility of calculating a projected band structure (similar to the "pband" functionality in VASP) using OpenMX.
Currently, in the official tutorials and documentation, I have only found instructions for obtaining projected bands within the multipole model, specifically for non-collinear magnetic configurations. However, this method does not seem applicable to systems with collinear magnetic order.
Could you please advise if there are alternative methods or keywords within OpenMX to perform orbital-projected band structure calculations for collinear magnetic systems? Any guidance or clarification on this matter would be greatly appreciated.
Thank you very much for your time and for developing this excellent software. I look forward to hearing from you.
Best regards,
Youtao Xu
Hangzhou Dianzi University
Hangzhou, China
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