[Pw_forum] Methods of analyzing chemical bonds

[Paolo Giannozzi]

Clark Lee wrote:

> Another question: I noticed that electron localization function 
> analysis was not implemented in previous versions of QE package. 

it is there since at least 2003. It doesn't work for ultrasoft
PP, though (more exactly: the contribution from the augmentation
part is missing). See INPUT_PP*

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