Dear developer,
I trying to perform GW+BSE calculation with yambo-5.0.3. At BSE step, I am getting the following error. Output file is attached.
[ERROR] STOP signal received while in[01] Dipoles
[ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001 in ./SAVE//ndb.dipoles_fragment_1 with wrong dimensions
[ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001
Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano, Conor Hogan
-
burkzdemir
- Posts: 95
- Joined: Tue Sep 09, 2014 7:57 pm
[ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001
You do not have the required permissions to view the files attached to this post.
Burak Ozdemir
Post-doc,
University of Modena and Reggio Emilia, Italy
Post-doc,
University of Modena and Reggio Emilia, Italy
-
Daniele Varsano
- Posts: 4209
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: [ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001
Dear Burak,
you can try to remove the ndb.dipoles* files and rerun the calculation.
Anyway, I suspect that the problem is that your system , after QP correction is seen as a metal, and you need to include more bands in your BSE calculation.
Best,
Daniele
you can try to remove the ndb.dipoles* files and rerun the calculation.
Anyway, I suspect that the problem is that your system , after QP correction is seen as a metal, and you need to include more bands in your BSE calculation.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/