[QE-users] open_grid.x with ibrav =4 error
Lorenzo Paulatto
lorenzo.paulatto at cnrs.fr
Sat Mar 23 21:00:35 CET 2024
> After generating k points grid with open_grid.x, when i do pw2wan, i
> encounter an error like
> numk= 144 iknum= 38
This could happen if the list of k-points that you provide to
"wannier90.x -pp" is not the same that was produced by open_grid.x
Did you copy the list of k-points printed from open_grid.x verbatim into
the input of wannier90, and only afterward run "wannier90.x -pp" ?
hth
--
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
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