[Wien] Wien2kwannier with SOC (Spin-polarised case)

[Guanxiong Qu]

Dear Sir or Madam,

I am trying to conduct wannier function projection on magnetic (spin-polarized) system with spin orbit coupling using Wien2kwannier, as I calculated the system on Wien2k.

I tried first on the Fe case. I could converge a calculation on Wien2k, while I am confused with the wannier calculation through Wien2kwannier interface with SOC.

I wonder if anybody could tell the correct work flow for SOC case on wannier calculation through Wien2kwannier interface.



Best Regards,
Guanxiong Qu

■ 独立行政法人　物質・材料研究機構
■ National Institute for Materials Science(NIMS)　
    Magnetic Materials Unit NAG
    Guanxiong Qu
    〒305-0047 茨城県つくば市千現1-2-1
    磁性材料ユニット　研究本館居室棟720
    Mobile: 080-5656-9920 EXT.2793


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