The ABINIT Users Mailing List ( CLOSED )

["Kwan-Woo Lee" <kwlee@ucdavis.edu>]

Dear ABINITORS,

According to the explanation of an input variable "occopt",  we can use a
metallic occopt for a molecule in order to avoid any problem with
degenerate levels.
In the case using a metallic occopt (>3),  we get a Born effective charge
and a dielectric constant from ABINIT main code.  However, using IFC code, 
those are automatically set to zero.

In this case, is it impossible to get a Born effective charge and a
dielectric constant?
Otherwise,  can the values coming from ABINIT main code be used?
( I want to get those for a semiconductor.)

If you have a answer, please let me know it.
thank you,

Kwan-Woo Lee