[Pw_forum] (no subject)
sanky.h at gmail.com
Mon May 11 10:39:45 CEST 2015
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.
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