[QE-users] How to plot the fat bands
Guido Fratesi
guido.fratesi at unimi.it
Thu Feb 27 15:26:28 CET 2020
Dear Abhijeet,
you may find an example for plotting projected (fat) bands in the
developer's version of QE:
https://gitlab.com/QEF/q-e/-/tree/develop/PP/examples/projected_bands_example
(download here:
https://gitlab.com/QEF/q-e/-/archive/develop/q-e-develop.zip?path=PP/examples/projected_bands_example
or full download here:
https://gitlab.com/QEF/q-e/-/archive/develop/q-e-develop.zip)
Hope this helps,
Guido
On 27/02/20 12:00, users-request at lists.quantum-espresso.org wrote:
> Message: 6
> Date: Thu, 27 Feb 2020 16:06:24 +0530
> From: "Abhijeet Jaysingrao Kale (P18PH001)"<kale.2 at iitj.ac.in>
> To:users at lists.quantum-espresso.org
> Subject: [QE-users] How to plot the fat bands
> Message-ID:
> <CAPMT7LgStWqhmGxQjn0j6JERsfW50yWQvafPk1xX=CZS8KfSaw at mail.gmail.com>
> Content-Type: text/plain; charset="utf-8"
>
> Dear QE users,
>
> I am Abhijeet, from IIT Jodhpur (India) working with the QE-6.0 version. I
> would like to plot Fat bands.
>
> After using the*pw.x, bands.x, projwfc.x, *and* plotband.x* executables
> respectively, I've got*casebands.dat, caseproj.dat, caseproj.dat.proj*
> files along with general output files. I am unable to figure out how to
> plot the fat bands using the data in the above files. Please help. Thanks.
>
> regards,
> Abhijeet.
--
Guido Fratesi
Dipartimento di Fisica
Universita` degli Studi di Milano
Via Celoria 16, 20133 Milano, Italy
Phone: +39 02 503 17348
email: guido.fratesi at fisica.unimi.it
web: https://sites.google.com/site/guidofratesi/
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