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<p class="MsoNormal"><span style="font-size:11.0pt">Hi Gary,<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">You can run x lapwso -up (for spin polarized soc) before lapw2.<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Thanks, <o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt">Jianxin<o:p></o:p></span></p>
<p class="MsoNormal"><span style="font-size:11.0pt"><o:p> </o:p></span></p>
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<p class="MsoNormal"><b><span style="font-family:"Calibri",sans-serif;color:black">From:
</span></b><span style="font-family:"Calibri",sans-serif;color:black">Wien <wien-bounces@zeus.theochem.tuwien.ac.at> on behalf of Gary Amini <aminigary@gmail.com><br>
<b>Reply-To: </b>A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at><br>
<b>Date: </b>Friday, May 17, 2024 at 8:16 AM<br>
<b>To: </b>A Mailing list for WIEN2k users <Wien@zeus.theochem.tuwien.ac.at><br>
<b>Subject: </b>[EXTERNAL] [Wien] DOS with SOC<o:p></o:p></span></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Dear all,<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">When calculating DOS with SOC, is it correct to do<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">x lapw2 -so -up -qtl<br>
x lapw2 -so -dn -qtl<br>
<o:p></o:p></p>
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<p class="MsoNormal">x tetra -up -so<br>
x tetra -dn -so<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">or should we run lapwso also?<o:p></o:p></p>
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<p class="MsoNormal"><o:p> </o:p></p>
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<p class="MsoNormal">Best,<o:p></o:p></p>
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<p class="MsoNormal">Gary<o:p></o:p></p>
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