[QE-users] energy calculation

Sonu Kumar 1009ukumar at gmail.com
Fri Jan 10 04:32:29 CET 2020


>
> The process gets terminated by itself. May be due to long time it takes.
> Can it be because of large cutoff and large kpoints?
>

Try taking small kinetic energy cutoff (ecut), charge density cutoff, and
less kpts; and see whether it proceeds to completion. Also, keep an eye on
RAM as suggested in the previous post.

bests, sonu
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