[QE-users] QE SCF covergence

[Pradip Si]

Hi QE users,
I am running QE scf calculations with Environ, for a large number of files
with absorbate on 2D materials. Several structures are not converging
within the given steps. Can I automate in such a way that my scf
calculations will stop if there is too much energy fluctuation or poor scf
accuracy within a few steps at the start.
Thanks.

Best,
Pradip Si
Graduate Student
University of North Texas
http://www.materialab.org/
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