do you really need conv_thr=1e-20 ?
stefano
On 14/05/20 09:18, Fariba Islam wrote:
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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