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
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burkzdemir
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[ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001
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Burak Ozdemir
Post-doc,
University of Nantes, France
Post-doc,
University of Nantes, France
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Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
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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/