[Wien] query about k-mesh shifting

Kim Kyoo kyoo at postech.ac.kr
Mon May 30 23:46:10 CEST 2016


Dear Dr. Bhamu

case.klist contains list of kpoints.
You can check whether gamma (0 0 0) is inside or not
2016. 5. 31. 오전 4:17에 "Dr. K. C. Bhamu" <kcbhamu85 at gmail.com>님이 작성:

> Dear Wien2k users
> I performed a calulation but I forgot whether it was with k-mesh shit or
> without shift during initialization.
>
> How I can know about this shifting of k-mesh, whether it was with shifting
> or without shifting.
>
> Kind regards
>
> ------------------------------------------------
> Dr. K. C. Bhamu
> (UGC-Dr. D. S. Kothari Postdoc Fellow)
> Department of Physics
> Goa University, Goa-403 206
> India
> Mob. No.  +91-9975238952
>
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