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

[shamik chakrabarti]

Dear Sir,

            Should I keep 3x2x2 for a structure having less atoms along y &
z -direction in comparison to x-direction?

On Fri, 25 Aug 2023 at 20:46, Peter Blaha <peter.blaha at tuwien.ac.at> wrote:

> 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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> --
> --------------------------------------------------------------------------
> Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
> Phone: +43-1-58801-165300
> Email: peter.blaha at tuwien.ac.at    WIEN2k: http://www.wien2k.at
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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