<div dir="ltr">Thank you, Sir. I understand.</div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Sun, 22 May 2022 at 21:18, Peter Blaha <<a href="mailto:pblaha@theochem.tuwien.ac.at">pblaha@theochem.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">When these are 2 independent calculations, the RMT can differ and the <br>
optimal choice should be taken for each compound.<br>
<br>
If you want to compare total energies (or maybe partial charges), the <br>
RMTs must be identical.<br>
<br>
Am 22.05.2022 um 16:22 schrieb shamik chakrabarti:<br>
> Dear Wien2k users,<br>
> <br>
>                       I have a basic question regarding Rmt. Whether the <br>
> same element at different compounds can have different Rmt?<br>
> <br>
> Looking forward to hearing from you.<br>
> <br>
> with regards,<br>
> <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>
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</blockquote></div><br clear="all"><div><br></div>-- <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>