Finite size corrections of charged systems

weslley.patrocinio · Post by **weslley.patrocinio** » Tue Feb 22, 2011 6:19 pm

Hello people,

I'm trying to use the ABINIT to calculate a charged defect in a dielectric with hexagonal crystalline structure. I was looking for finite size corrections of electrostatic interation, and I found in the docs that in the versions 6.2 and newer this feature are available, but I can't find what method of correction is used. The most common method used is the Makov-Payne model. Anyone can tell me what method of electrostatic correction due the periodic boundary condition is implemented in the ABINIT code ?

My bests regards,

Weslley.