[Wien] 答复: something about the soc

[姜若诗]

Thank you for your answer.I still have a question.why the rotation symmetry matrix of case.struct and of case.outputkgen is different?Is the rotation symmetry matrix of the case.outputkgen is in k-space?
发件人: Gavin Abo
发送时间: 2018年10月30日 10:46
收件人: wien at zeus.theochem.tuwien.ac.at
主题: Re: [Wien] something about the soc

Type A should mean preserve symmetry, while Type B should be time inversion of the symmetry:

https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg15061.html
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg14326.html 

On 10/29/2018 7:57 PM, 姜若诗 wrote:
Could anyone tell me what the meaning of the type A and type B in the case.struct after spin-orbital coupling?Thank you very much!

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