Dear Developers,
Would you please tell me about this problem and how can I fix it?
[ERROR] STOP signal received while in :[02.05] Energies [ev] & Occupations
[ERROR] Too few states. Include more states in the DFT run.
I attached the report file
Best
S. Ataei, University of Tehran, Iran
error
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Daniele Varsano
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Re: error
Dear Samaneh,
as the error messages say you need to Include more states in the DFT run.
It looks yambo has difficulties to determine the Fermi energy considering the number of bands you calculated and the temperature (semearing) you used (~0.3eV).
Otherwise you can think about to reduce the smearing if not needed (is this a metal??).
Anyway I suggest you to do both, as 200 bands considering that 180 are occupied is a small number to get converged reponse funcitons/screening etc...
Best,
Daniele
as the error messages say you need to Include more states in the DFT run.
It looks yambo has difficulties to determine the Fermi energy considering the number of bands you calculated and the temperature (semearing) you used (~0.3eV).
Otherwise you can think about to reduce the smearing if not needed (is this a metal??).
Anyway I suggest you to do both, as 200 bands considering that 180 are occupied is a small number to get converged reponse funcitons/screening etc...
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/