What parameters are used for DFT calculation of CH3NH3PbX3 (X = Cl, Br, I) using Quantum ESPRESSO?

I would like to do SCF calculation (PWscf) of CH3NH3PbX3 (X = Br, Cl, I) using Quantum ESPRESSO but I didn't have reference about the parameters used in the program (the most suitable...

01 January 2019 2,242 1 View