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[ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001

Posted: Mon Jul 26, 2021 9:56 am
by burkzdemir
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

Re: [ERROR] Trying to overwrite variable DIP_iR_k_0001_spin_0001

Posted: Mon Jul 26, 2021 10:07 am
by Daniele Varsano
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