[QE-users] units of potential

[Matic Poberznik]

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