 Re: Spintexture for the supercell in the first brillouin zone (primitive) ( No.1 ) |
- Date: 2026/03/01 16:42
- Name: Kazume NISHIDATE <kazume.nishidate@gmail.com>
- > Is there any way in OpenMX to calculate the spin texture in the first Brillouin zone (primitive cell)?
The answer is written in the manual.
https://www.openmx-square.org/openmx_man3.8/node153.html
> I need to complete this calculation urgently. If anyone has any suggestions, I would be very grateful.
Slow and steady wins the race, you know.
Follow the instruction manual.
西館数芽
Kazume NISHIDATE Ph.D
Department of Systems Innovation Engineering,
Graduate School of Science and Engineering, Iwate University
4-3-5 Ueda, Morioka, Iwate, 020-8551 JAPAN
Phone:+81-19-621-6391
kazume.nishidate@gmail.com, nisidate@iwate-u.ac.jp
https://sites.google.com/site/nisidatelab/
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| Re: Spintexture for the supercell in the first brillouin zone (primitive) ( No.2 ) |
- Date: 2026/03/02 15:26
- Name: Md Aktar Hossain <aktarbinmotiur@kgpian.iitkgp.ac.in>
- Dear Sir,
Thank you for your prompt reply and for the helpful suggestion.
Using the link you provided, I am able to unfold the band structure and also plot the orbital-projected bands. However, I am not obtaining any spin texture information in the unfolded cell.
I would appreciate your any suggestions.
Best regards,
Aktar
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Spintexture for the supercell in the first brillouin zone (primitive)