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> 1- It is selected the ipol=1 in Lanczos file. The manual shows it as XX direction. Is it the 100 or 001 direction of the polarized light? I read a paper in which it is considered the 100, but in other forums, it was said that it is 001...</div>
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As far as I understand, it is 100</div>
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> 2- Why is the script used to plot the spectrum set to multiply column 4 (imaginary dielectric) by 0.000276? I understood that the ($2)*13.6 was set to convert Ry to eV, but I can't even guess the reason for the 0.000276...</div>
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The intensity is in arbitrary units. This factor was used just to match the arbitrary units from two codes (Lanczos and Davidson).</div>
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HTH</div>
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Iurii</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of José Xavier via users <users@lists.quantum-espresso.org><br>
<b>Sent:</b> Thursday, May 18, 2023 11:08:21 PM<br>
<b>To:</b> Quantum ESPRESSO Users Forum<br>
<b>Subject:</b> [QE-users] [SPAM] Doubt about Hands-on QE summer school TD-DFT exercise (day 3)</font>
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<div dir="ltr" data-setdir="false">Dear QE users, </div>
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<div dir="ltr" data-setdir="false">I'm new to optical properties calculation, and I want to ask If anyone could help me with two doubts about the Hands-on exercises in the <a href="https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/Day-3/example6/" rel="nofollow" target="_blank">https://gitlab.com/QEF/material-for-ljubljana-qe-summer-school/-/blob/master/Day-3/example6/</a></div>
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<div dir="ltr" data-setdir="false">1- It is selected the ipol=1 in Lanczos file. The manual shows it as XX direction. Is it the 100 or 001 direction of the polarized light? I read a paper in which it is considered the 100, but in other forums, it was said that
it is 001...</div>
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<div dir="ltr" data-setdir="false">2- Why is the script used to plot the spectrum set to multiply column 4 (imaginary dielectric) by 0.000276? I understood that the ($2)*13.6 was set to convert Ry to eV, but I can't even guess the reason for the 0.000276...</div>
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<div dir="ltr" data-setdir="false">Thanks for your help</div>
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<div dir="ltr" data-setdir="false">Xavier<br>
Universidade Federal do Rio Grande do Norte</div>
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