[Pw_forum] defect state

Paolo Giannozzi giannozz at democritos.it
Tue Mar 2 17:45:09 CET 2010


kazempoor at ph.iut.ac.ir wrote:

> I would be most grateful if anyone tell me what is the true
>  method for observation of defect states

there is no "true method", and more often than not you
cannot trust the position of defect states obtained in
DFT (especially in nasty systems like TiO2).

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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