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<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Dear QE users and developers,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">I am currently performing XAS calculations of C-Kedge and attempting to reproduce the results shown in Figure 4 of the paper
<a href="file:///C:/Users/Y056502/AppData/Local/Temp/MicrosoftEdgeDownloads/6f0f4fe2-a6f3-4cc9-bfc6-d3172563b686/s41467-024-46138-6.pdf">
Nature Communications(2024)15:1898</a>.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">In this paper castep uses gaussian broadening, while quantum espresso utilizes Lorentzian broadening for xas calculations.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">I would like to know if it is possible to use gaussian broadening with xspectra.x in quantum espresso.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Any guidance or advice on how to achieve this would be greatly appreciated.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Thank you for your assistance.<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Best regards,<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt">Takahisa Ishiyma<o:p></o:p></span></p>
<p class="MsoNormal"><span lang="EN-US" style="font-size:11.0pt"><o:p> </o:p></span></p>
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