Slab calculation in abinit
Posted: Fri Jul 29, 2011 11:52 am
I am interested in doing a slab(TiO2) calculation.
First of all I need to know the parameters controlling the slab calculations (except those of bulk).
Second thing is about the dipole correction. Is it mandatory to use the dipole correction?.
If it is so. How to do it in abinit?
Thanks,
Murali
First of all I need to know the parameters controlling the slab calculations (except those of bulk).
Second thing is about the dipole correction. Is it mandatory to use the dipole correction?.
If it is so. How to do it in abinit?
Thanks,
Murali