<div dir="ltr">Dear Sir,<div><br></div><div>            Should I keep 3x2x2 for a structure having less atoms along y & z -direction in comparison to x-direction?</div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Fri, 25 Aug 2023 at 20:46, Peter Blaha <<a href="mailto:peter.blaha@tuwien.ac.at">peter.blaha@tuwien.ac.at</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Did you do the calculations ? Then you know the answer.<br>
<br>
All what we can say without details: One of the choices is for sure wrong.<br>
<br>
Am 25.08.2023 um 07:15 schrieb shamik chakrabarti:<br>
> Dear Wien2k users,<br>
> <br>
>                           I have a basic question.<br>
> Whether there would be energy difference between k point sampling via <br>
> 2x2x3 & 3x2x2?<br>
> <br>
> Looking forward to your reply.<br>
> <br>
> witty regards,<br>
> -- <br>
> Dr. Shamik Chakrabarti<br>
> Research Fellow<br>
> Department of Physics<br>
> Indian Institute of Technology Patna<br>
> Bihta-801103<br>
> Patna<br>
> Bihar, India<br>
> <br>
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<br>
-- <br>
--------------------------------------------------------------------------<br>
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna<br>
Phone: +43-1-58801-165300<br>
Email: <a href="mailto:peter.blaha@tuwien.ac.at" target="_blank">peter.blaha@tuwien.ac.at</a>    WIEN2k: <a href="http://www.wien2k.at" rel="noreferrer" target="_blank">http://www.wien2k.at</a><br>
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</blockquote></div><br clear="all"><div><br></div><span class="gmail_signature_prefix">-- </span><br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div dir="ltr"><div dir="ltr"><div dir="ltr"><div style="font-size:small">Dr. Shamik Chakrabarti</div><div style="font-size:small">Research Fellow </div><div style="font-size:small">Department of Physics</div><div style="font-size:small">Indian Institute of Technology Patna</div><div style="font-size:small">Bihta-801103</div><div style="font-size:small">Patna</div><div style="font-size:small">Bihar, India</div></div></div></div></div></div></div></div>