[QE-users] Probable bug in additional_kpoints.f90 subroutine
Lorenzo Paulatto
lorenzo.paulatto at sorbonne-universite.fr
Wed Feb 16 12:49:54 CET 2022
Download these two files and replace those in QE7 and recompile:
https://gitlab.com/QEF/q-e/-/raw/develop/Modules/additional_kpoints.f90?inline=false
https://gitlab.com/QEF/q-e/-/raw/develop/PP/src/plotband.f90?inline=false
let me know if it does not compile
cheers
Dr. Lorenzo Paulatto
IdR @ IMPMC - CNRS UMR 7590 & Sorbonne Université
phone: +33 (0)1 442 79822 / skype: paulatz
http://www.impmc.upmc.fr/~paulatto/ - https://anharmonic.github.io/
23-24/423 B115, 4 place Jussieu 75252 Paris CX 05
On Feb 16 2022, at 12:36 pm, Aleksandra Oranskaia <aleksandra.oranskaia at kaust.edu.sa> wrote:
> Thank you for the corrections!
>
> Where can I get the updated files (additional_kpoints.f90, plotband.f90, ...?) ?
>
> --
> Best wishes,
> Alex (she/her/hers),
> phd candidate in chemical sciences
> 'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman)
> https://cpms.kaust.edu.sa/
>
>
>
>
>
>
>
> This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email._______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20220216/eec9ea94/attachment.html>
More information about the users
mailing list