[Pw_forum] How to get ionization potential

[Paolo Giannozzi]

Jianguo Wang (jianguow at Princeton.EDU) wrote:

> Any one has the experiences to calculate the ionization potential
> of some molecules. Would do please give some indications to me.

I have no experience, but it should be feasible, using corrections
for charged systems (Makov-Payne or better)

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy