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Hi Stephen;</div>
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That makes me happy since I should also use the same tool. </div>
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Do you have any comments on the possible reasons for the difference along U-L-G path? </div>
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<font face="Times New Roman, Times, serif" size="3">Best regards; </font></p>
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<br>
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<span style="font-family:"Times New Roman",Times,serif">Mona Asadi Namin</span></p>
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<span style="font-family:"Times New Roman",Times,serif">Graduate student</span></p>
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<span style="font-family:"Times New Roman",Times,serif">Center for simulational physics</span></p>
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<span style="font-family:"Times New Roman",Times,serif">University of Georgia</span></p>
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<span style="color:rgb(0,0,0)">--------------------------------------</span><br>
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<span style="color:rgb(0,0,0); font-family:"Times New Roman",Times,serif">E</span><span style="font-family:"Times New Roman",Times,serif">mail:</span><span style="font-family:"Times New Roman",Times,serif; color:rgb(149,79,114)"><a href="mailto:mona.a@uga.edu" style="font-family:"Times New Roman",serif; color:rgb(149,79,114)">mona.a@uga.ed</a>u<a href="mailto:mona.a@uga.edu"></a></span><span style="font-family:"Times New Roman",Times,serif"> </span></p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Stephen Zhang <lolzen@berkeley.edu><br>
<b>Sent:</b> Monday, July 13, 2020 3:27 PM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] Plotting Spin up and Spin down bands?</font>
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<div class="PlainText">[EXTERNAL SENDER - PROCEED CAUTIOUSLY]<br>
<br>
<br>
Hi everyone and Mona,<br>
<br>
I removed the error lines that prevented inputs with constrained<br>
magnetism from being calculated under bands.x and got exactly what I<br>
wanted, which was separate plots for spin up and spin down. I've<br>
attached the plots of my band structures, you can compare them to the<br>
band structures calculated in the link here<br>
<a href="https://www.nature.com/articles/s41467-018-06088-2.pdf">https://www.nature.com/articles/s41467-018-06088-2.pdf</a>. Look for spin<br>
up only<br>
<br>
On Mon, Jul 13, 2020 at 10:53 AM Stephen Zhang <lolzen@berkeley.edu> wrote:<br>
><br>
> Hi Mona,<br>
><br>
> Thank you for your response, I'll give it a try and let everyone know what happens!<br>
><br>
> Stephen<br>
><br>
> On Mon, Jul 13, 2020, 6:12 AM Mona Asadinamin <Mona.a@uga.edu> wrote:<br>
>><br>
>> Dear Stephen;<br>
>><br>
>> You can recompile bands.f90 after deleting this line from the code:<br>
>><br>
>> IF (two_fermi_energies.or.i_cons /= 0) &<br>
>> CALL errore('bands',&<br>
>> 'The bands code with constrained magnetization has not been tested',1)<br>
>><br>
>> However, this method has not been tested yet; so use with care and please share the results with us.<br>
>><br>
>><br>
>> Best regards;<br>
>><br>
>><br>
>> Mona Asadi Namin<br>
>><br>
>> Graduate student<br>
>><br>
>> Center for simulational physics<br>
>><br>
>> University of Georgia<br>
>><br>
>> --------------------------------------<br>
>><br>
>> Email:mona.a@uga.edu<br>
>><br>
>><br>
>> Message: 2<br>
>> Date: Sun, 12 Jul 2020 17:19:10 -0700<br>
>> From: Stephen Zhang <lolzen@berkeley.edu><br>
>> To: users@lists.quantum-espresso.org<br>
>> Subject: [QE-users] Plotting Spin up and Spin down bands?<br>
>> Message-ID:<br>
>> <CAM3V+-9NiTZDou0Hhjoai9uyxww1iATAAty5qi_qs3n9Dse+mw@mail.gmail.com><br>
>> Content-Type: text/plain; charset="utf-8"<br>
>><br>
>> Hi everyone,<br>
>><br>
>> Does anyone know how to plot separate spin up and spin down bands after<br>
>> doing a bands calculation for pw.x? After running bands.x I get the error<br>
>><br>
>> The bands code with constrained magnetism has not been tested<br>
>><br>
>> Does anyone know any work around?<br>
>><br>
>> Thanks<br>
>><br>
>> _______________________________________________<br>
>> Quantum ESPRESSO is supported by MaX (<a href="http://www.max-centre.eu/quantum-espresso">www.max-centre.eu/quantum-espresso</a>)<br>
>> users mailing list users@lists.quantum-espresso.org<br>
>> <a href="https://lists.quantum-espresso.org/mailman/listinfo/users">https://lists.quantum-espresso.org/mailman/listinfo/users</a><br>
<br>
--<br>
University of California, Berkeley<br>
Department of Letter and Sciences<br>
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