[Wien] Whether there would be energy difference between k point sampling via 2x2x3 & 3x2x2?

Peter Blaha peter.blaha at tuwien.ac.at
Fri Aug 25 17:16:44 CEST 2023


Did you do the calculations ? Then you know the answer.

All what we can say without details: One of the choices is for sure wrong.

Am 25.08.2023 um 07:15 schrieb shamik chakrabarti:
> Dear Wien2k users,
> 
>                           I have a basic question.
> Whether there would be energy difference between k point sampling via 
> 2x2x3 & 3x2x2?
> 
> Looking forward to your reply.
> 
> witty regards,
> -- 
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
> 
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