[QE-users] Plotting Spin up and Spin down bands?

[Mona Asadinamin]

Hi Stephen;

That makes me happy since I should also use the same tool.

Do you have any comments on the possible reasons for the difference along U-L-G path?

Best regards;

Mona Asadi Namin
Graduate student
Center for simulational physics
University of Georgia
--------------------------------------
Email:mona.a at uga.ed<mailto:mona.a at uga.edu>u<mailto:mona.a at uga.edu>
________________________________
From: users <users-bounces at lists.quantum-espresso.org> on behalf of Stephen Zhang <lolzen at berkeley.edu>
Sent: Monday, July 13, 2020 3:27 PM
To: Quantum ESPRESSO users Forum <users at lists.quantum-espresso.org>
Subject: Re: [QE-users] Plotting Spin up and Spin down bands?

[EXTERNAL SENDER - PROCEED CAUTIOUSLY]


Hi everyone and Mona,

I removed the error lines that prevented inputs with constrained
magnetism from being calculated under bands.x and got exactly what I
wanted, which was separate plots for spin up and spin down. I've
attached the plots of my band structures, you can compare them to the
band structures calculated in the link here
https://www.nature.com/articles/s41467-018-06088-2.pdf. Look for spin
up only

On Mon, Jul 13, 2020 at 10:53 AM Stephen Zhang <lolzen at berkeley.edu> wrote:
>
> Hi Mona,
>
> Thank you for your response, I'll give it a try and let everyone know what happens!
>
> Stephen
>
> On Mon, Jul 13, 2020, 6:12 AM Mona Asadinamin <Mona.a at uga.edu> wrote:
>>
>> Dear Stephen;
>>
>> You can recompile bands.f90 after deleting this line from the code:
>>
>> IF (two_fermi_energies.or.i_cons /= 0) &
>>      CALL errore('bands',&
>>      'The bands code with constrained magnetization has not been tested',1)
>>
>> However, this method has not been tested yet; so use with care and please share the results with us.
>>
>>
>> Best regards;
>>
>>
>> Mona Asadi Namin
>>
>> Graduate student
>>
>> Center for simulational physics
>>
>> University of Georgia
>>
>> --------------------------------------
>>
>> Email:mona.a at uga.edu
>>
>>
>> Message: 2
>> Date: Sun, 12 Jul 2020 17:19:10 -0700
>> From: Stephen Zhang <lolzen at berkeley.edu>
>> To: users at lists.quantum-espresso.org
>> Subject: [QE-users] Plotting Spin up and Spin down bands?
>> Message-ID:
>>         <CAM3V+-9NiTZDou0Hhjoai9uyxww1iATAAty5qi_qs3n9Dse+mw at mail.gmail.com>
>> Content-Type: text/plain; charset="utf-8"
>>
>> Hi everyone,
>>
>> Does anyone know how to plot separate spin up and spin down bands after
>> doing a bands calculation for pw.x? After running bands.x I get the error
>>
>> The bands code with constrained magnetism has not been tested
>>
>> Does anyone know any work around?
>>
>> Thanks
>>
>> _______________________________________________
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--
University of California, Berkeley
Department of Letter and Sciences
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