Dear Robert, > Hi > > > I did scf simulation using pw.x and extracted the potential by pp.x > plot_num=1 . I want to know is the values i got in units of Rydberg > atomic units or not?. That mean I have to multiply by 19.24 to get it in > units of eV according to the following ref. Is it per unit volumn ? >
All output quantities are in ATOMIC (RYDBERG) UNITS unless otherwise explicitly specified. link: https://www.quantum-espresso.org/Doc/INPUT_PP.html the conversion factor to eV is however:13.605691930242388 eV/Ry Best Regards, Matic -- Matic Poberznik J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia _______________________________________________ users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
