[QE-users] Error reading charge-density file when running pw2wannier90.x

Valentin VASSILEV GALINDO valentin.vassilev at uni.lu
Thu Feb 2 09:03:43 CET 2023


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)

valentin.vassilev at imdea.org<mailto:valentin.vassilev at imdea.org> | https://materials.imdea.org<https://materials.imdea.org/> | https://materials.imdea.org/groups/bcmom/
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