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 [email protected] http://pwscf.org/mailman/listinfo/pw_forum
