[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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20240323/f2fe8d30/attachment.html>


More information about the users mailing list