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<p>Dear Mortaza,</p>
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<p>The codes turbo_lanczos.x and turbo_davidson.x (which are for the absorption spectroscopy) do not support the spin-orbit coupling (SOC). The code turbo_eels.x (which is for the electron energy loss spectroscopy) can be used including SOC (see the example
EELS-Bi-NCPP-LDA-withSOC).</p>
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<p>HTH</p>
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<p>Regards,</p>
<p>Iurii <br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">--<br>
Dr. Iurii Timrov<br>
Postdoctoral Researcher<br>
Swiss Federal Institute of Technology Lausanne (EPFL<font color="808080"><font face="'Times New Roman', Times, serif">)</font></font>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">Laboratory of Theory and Simulation of Materials
<font color="808080"><font face="'Times New Roman', Times, serif">(THEOS)</font></font></font><font size="3" face="'Times New Roman', Times, serif" color="808080"><br>
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<font size="3" face="'Times New Roman', Times, serif" color="808080">CH-1015 Lausanne, Switzerland<br>
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<div id="divRplyFwdMsg" dir="ltr"><font style="font-size:11pt" face="Calibri, sans-serif" color="#000000"><b>From:</b> pw_forum-bounces@pwscf.org <pw_forum-bounces@pwscf.org> on behalf of Mortaza Aghtar <meisam.a63@gmail.com><br>
<b>Sent:</b> Monday, January 30, 2017 2:40 PM<br>
<b>To:</b> PWSCF Forum<br>
<b>Subject:</b> [Pw_forum] tddft and soc</font>
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Dear all,<br>
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Is it possible to do TD-DFT simulations in the presence of spin-orbit coupling?<br>
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If yes, how is it done? Is it a regular scf SOC calculation and using turbo_lanczos.x consequently?<br>
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Best regards,<br>
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Mortaza<br>
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<pre class="gmail-moz-signature" cols="72">--
Dr. Mortaza Aghtar
Postdoctoral research fellow
Ulm Universität
Institut für Theoretiche Physik
Albert-Einstein-Allee 11
89081 Ulm
Office: 405/O25
Telephone: (+49) 731-50-22905
Group Page: <a href="http://qubit-ulm.com/">http://qubit-ulm.com/</a></pre>
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