[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/
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