13 August 2020 4 3K Report

For example:- If we choose a pseudopotential of the kind K.pbe-spn-kjpaw_psl.1.0.0.UPF. Here K denotes Potassium. pbe denotes (Perdew Burke Ernzerhof) recipe of GGA. Similarly how to choose a pseudopotential which uses hybrid XC functionals like B3LYP, HSE06, etc... in QUANTUM ESPRESSO ?

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