The ABINIT Users Mailing List ( CLOSED )

[Matthieu Verstraete <mjv500@york.ac.uk>]

As a follow up, another Wright article:

Formation energies, binding energies, structure, and electronic 
transitions of Si divacancies studied by density functional calculations

R. R. Wixom and A. F. Wright
Phys. Rev. B 74, 205208 (2006)

Which is quite critical (and convincing) about most methods for 
eliminating electrostatic effects.

Matthieu


--
================================================================
Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
Dept. of Physics, University of York,     tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14