The ABINIT Users Mailing List ( CLOSED )

["Chun Li " <chun.li@mf.mpg.de>]

Dear all,

I searched in the mailing list and found several emails about dipole
correction posted about one year before:

http://www.abinit.org/wws/arc/forum/2004-02/msg00036.html
http://www.abinit.org/wws/arc/forum/2004-02/msg00048.html

Is there anyone who has solved this problem in ABINIT when performing
calculations on polar surfaces? Or is there any other approach instead?
I am performing cell optimization on slab models of ZnO. However, the
relaxation is very difficult to complete. I think it is because of the
internal electric field in the slab. Could anyone give me some advice?
Thank you.

Best regards.

Chun Li