[Pw_forum] vc-relax "insulators"

Paolo Giannozzi giannozz at democritos.it
Mon Mar 19 19:10:14 CET 2012


On Sat, 2012-03-17 at 23:38 -0300, crispulo enrique deluque toro wrote:

> I want to do a calculation vc_relax for a perovskite antiferromagnetic
> insulating properties, but unfortunately I can not get that converges

have you made any preliminary tests on simpler cases? for all
pseudopotentials? do they work?

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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