[Pw_forum] cut-off energy doesnt optimized

project way project.way95 at gmail.com
Fri May 5 13:16:13 CEST 2017


Dear QE users

I am running ZnO bulk scf for different cut-off energy but Etot didnt
optimized.

Ecut= 40  Etot=-317.466 Ry
Ecut= 50  Etot=-317.484 Ry
Ecut= 60  Etot=-317.492 Ry
Ecut= 75  Etot=-317.493 Ry

for optimization with 0.0001  i should increase Ecut too much?
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