[QE-users] I don't know how to add empty bands and broaden my super cell

[Vahid Askarpour]

Specify nbnd for bands.
For broadening, check the input parameters occupations, smearing, degauss.

Cheers,
Vahid

Vahid Askarpour
Department of physics and atmospheric science
Dalhousie University
Halifax, NS
Canada

On Jun 17, 2020, at 8:44 PM, Coralie Khabbaz <khabbaz.coralie at gmail.com<mailto:khabbaz.coralie at gmail.com>> wrote:

CAUTION: The Sender of this email is not from within Dalhousie.
I am performing an SCF calculation (on a tungsten nitride slab that contains 114 atoms) that is not converging. I was told that I had to add a few empty bands and a broadening. However, I don't know how to do that as I am still a beginner. How do I add empty bands and how do I broaden? Please help!!
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