[QE-users] nscf calculation of 2x2x2 Si supercell
Fariba Islam
ezqhaz at gmail.com
Thu May 14 09:18:34 CEST 2020
Dear all,
My conv_thr=1e-20 and ecutwfc=200 ecutrho=800
My nscf calculation is crashing with the error
task # 10
from c_bands : error # 1
too many bands are not converged
How can I solve? From suggestions found online, I have reduced the
threshold and increased ecutwfc and ecutrho.
Regards
Fariba Islam
Bangladesh University of Engineering and Technology
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