The ABINIT Users Mailing List ( CLOSED )

[Yu Chol Jun <yucj@ghi.rwth-aachen.de>]

Dear all,

we are often faced with the problem to simulate the isolated ion group 
(such as OH-, H+, RCOO-), during the study of phenomena like 
chemisoption on the surface.

In ABINIT, how can we simulate the isolated ion group?
Do we have to creat the pseudopotential of ionized atom?
Is it possible to do this in PAW formalism?

Best regards.

Yu.