[Pw_forum] (no subject)
georgeamolo862 at gmail.com
Mon May 11 11:01:19 CEST 2015
Good day. It will be nice if you attach the input script so that members of
the forum can help you.
University of Eldoret, Kenya
On Mon, May 11, 2015 at 11:39 AM, saswata halder <sanky.h at gmail.com> wrote:
> Dear Users,
> I am sort of a beginner in quantum espresso and i am working with a
> perovskite system. I have tried both scf and relax calculations for
> SrTiO3. the forces are shown to be zero. But i am quite unsure about
> the value of pressure that is optimum for a relaxed structure.
> I request you to please help me on this matter.
> I apologize if my question is ill-framed.
> Thanking you,
> Saswata Halder.
> Pw_forum mailing list
> Pw_forum at pwscf.org
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