Dear QE community,
I would like to start using QE with wannier90. For this, I started running the
examples available within the wannier90 code but I always get the following
error:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from read_rhog : error # 1
error reading file ./cnt.save/charge-density
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have tried with examples 13 and 15, using the inputs as they are given with
no changes from my side. I'm using QE 6.8.
As explained in the documentation, I run first the .scf input and the .nscf
input of QE's pw.x. After that, I run wannier90.x as post-processing tool to
generate the .nnkp file. Then, it is when I run pw2wannier90.x and get the
aforementioned error.
I will be very thankful for any help you can provide.
Best regards,
Valentin Vassilev Galindo
----------------------------------------
Dr. Valentin Vassilev Galindo
Research Associate
Bio/Chemo/Mechanics of Materials
IMDEA Materials Institute
Calle Eric Kandel 2
28906, Getafe, Madrid (Spain)
[email protected]<mailto:[email protected]> |
https://materials.imdea.org<https://materials.imdea.org/> |
https://materials.imdea.org/groups/bcmom/
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