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<p>Hello,</p>
<p>If I remember correctly, the XANES does not care if the final
state is virtual of valence, so if your smearing is too large,
valence states may appear in the final spectrum. As the XANES
spectra is closely related to the DOS, I would align and compare
spectra and DOS side by side to try to understand from where it
comes.</p>
<p>hth<br>
</p>
<div class="moz-cite-prefix">On 07/03/2025 05:46,
Ishiyama,Takahisa_石山 貴久 wrote:<br>
</div>
<blockquote type="cite"
cite="mid:OSBPR01MB2565316A87A4BE1131CF1DA5ADD52@OSBPR01MB2565.jpnprd01.prod.outlook.com">
J. Phys.: Cond. Matter.,21 (2009) 104204-1-6.
</blockquote>
<div class="moz-signature">-- <br>
<small>Dr. Lorenzo Paulatto<br>
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
<a href="http://people.impmc.fr/lpaulatto/"
class="moz-txt-link-freetext">http://people.impmc.fr/lpaulatto/</a>
- <a href="https://anharmonic.github.io/"
class="moz-txt-link-freetext">https://anharmonic.github.io/</a><br>
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05<small></small></small></div>
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