[Pw_forum] How to get ionization potential

Paolo Giannozzi giannozz at nest.sns.it
Mon Mar 10 19:04:34 CET 2008

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 Giannozzi, Democritos and University of Udine, Italy

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