[QE-users] Zinc's GGA pseudo potential's in capabilities

[Nitol, Mash]

Dear All,

Have anyone used Tkatchenko-Scheffler van der Waals correction method with self-consistent screening<https://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.064110> in Quantum espresso? None GGA type pseudo potential’s available in QE gives me correct c/a ratio for zinc. I was wondering if anyone can help me to use TS+SCS method in Quantum espresso? [https://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.064110]



Mash
Department of Mechanical Engineering
Mississippi State University





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