[Pw_forum] very high pressure in scf

Paolo Giannozzi giannozz at democritos.it
Fri May 27 12:24:10 CEST 2011

On Fri, 2011-05-27 at 15:50 +0530, Sanjeev Gupta wrote:

> Herewith, I am putting my input file, here again i am getting pressure
> too large as compare in ABINIT.
> Kindly suggest me, why i am getting large pressure.

do you get the same results with the same psedupotentials?
You should. If you don't, you should first understand why

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

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