[Pw_forum] Which coordinates of K point should be used, referencing to reciprocal CONVENTIONAL vectors or reciprocal PRIMITIVE vectors?
Hongsheng Zhao
zhaohscas at yahoo.com.cn
Wed Jun 29 06:34:48 CEST 2011
On 06/29/2011 11:24 AM, jia chen wrote:
> Hi Hongsheng,
>
> You can find definitions of lattice vectors in INPUT_PW.txt and
> calculate reciprocal vectors according to definition of reciprocal
> vector. The name sometimes doesn't matter.
Good, thanks a lot. I've got it.
Regards.
--
Hongsheng Zhao <zhaohscas at yahoo.com.cn>
School of Physics and Electrical Information Science,
Ningxia University, Yinchuan 750021, China
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