[QE-users] units of potential

[Robert Andrawis]

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 ?


 http://faculty.kfupm.edu.sa/PHYS/aanaqvi/rydberg.pdf

Atomic Rydberg Units - KFUPM<http://faculty.kfupm.edu.sa/PHYS/aanaqvi/rydberg.pdf>
faculty.kfupm.edu.sa
Atomic Rydberg Units Our starting point are Gaussian units for our physical equation and amounts. We then choose: ~ = 2m = e2 2 = 1 (1) where m is the mass of an electron and e its charge.


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