[Pw_forum] question on structurerelax

Paolo Giannozzi giannozz at nest.sns.it
Mon Nov 27 13:34:41 CET 2006

On Nov 27, 2006, at 13:23 , Guoying Gao wrote:

> I'm sorry for my ambiguous expressions. I mean that I did
> a single scf calculation before relaxing.

this is irrelevant: convergence of pressure wrt kinetic energy
cutoff is notoriously slow

Paolo Giannozzi, Democritos and University of Udine, Italy

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