[QE-users] Projected Band structure (Mayuri Bora)

Marcelo Albuquerque marcelofilho at id.uff.br
Thu Jun 24 15:41:13 CEST 2021


Dear Mayuri Bora,

There are some examples inside the PP directory of the QE package, for
example, example04, example05, fermisurf_example, ForceTheorem_example,
ForceTheorem_example, and MolDos_example.
I believe the first two are sufficient.

Hope it helps.

Best wishes,

Marcelo Albuquerque

Ph.D. Candidate

Institute of Physics

Fluminense Federal University
Niterói/RJ - Brazil



On Thu, Jun 24, 2021 at 7:01 AM Mayuri Bora wrote:

>
> Message: 1
> Date: Wed, 23 Jun 2021 15:59:27 +0530
> From: "Mayuri Bora" <mayu219 at tezu.ernet.in>
> To: users at lists.quantum-espresso.org
> Subject: Re: [QE-users] Projected Band structure
> Message-ID:
>         <46e2400b9459a4a3da9fc5e720bdc243.squirrel at webmail.tezu.ernet.in>
> Content-Type: text/plain;charset=utf-8
>
> I am waiting for the reply.
>
> Thanks in advance.
>
>
> > Dear QE Users
> >
> > Currently i am working on a heterostructure consisting of semimetal and
> > ferromagnetic insulator. I am stuck in projecting the band structure
> > exactly on which portion i have to project the band structure i am bit
> > stuck in it. However, i have given nband=150 for k-points 6 6 1.
> >
> > I will be thankful for the help.
> >
> > regards
> > Mayuri
> >
> > Mayuri Bora
> > INSPIRE Fellow
> > Advanced Functional Material Laboratory
> > Tezpur University
> > Napaam
> > http://www.tezu.ernet.in/afml/
> >
> >
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>
>
> Mayuri Bora
> INSPIRE Fellow
> Advanced Functional Material Laboratory
> Tezpur University
> Napaam
> http://www.tezu.ernet.in/afml/
>
>
> * * * D I S C L A I M E R * * *
> This e-mail may contain privileged information and is intended solely for
> the individual named. If you are not the named addressee you should not
> disseminate, distribute or copy this e-mail. Please notify the sender
> immediately by e-mail if you have received this e-mail in error and destroy
> it from your system. Though considerable effort has been made to deliver
> error free e-mail messages but it can not be guaranteed to be secure or
> error-free as information could be intercepted, corrupted, lost, destroyed,
> delayed, or may contain viruses. The recipient must verify the integrity of
> this e-mail message.
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