Spintexture for the supercell in the first brillouin zone (primitive) |
- Date: 2026/02/27 17:44
- Name: Md Aktar Hossain
<aktarbinmotiur@kgpian.iitkgp.ac.in>
- Dear OpenMX Community,
I am trying to calculate the spin texture for a supercell, as I am working on a heterostructure. However, I am unable to calculate it in the unfolded Brillouin zone (the first Brillouin zone of the primitive cell). The data I am obtaining corresponds to the folded Brillouin zone (the supercell Brillouin zone).
Is there any way in OpenMX to calculate the spin texture in the first Brillouin zone (primitive cell)?
I need to complete this calculation urgently. If anyone has any suggestions, I would be very grateful.
Best regards,
Aktar
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