[Pw_forum] Total DOS and sum of PDOS don't overlap

[Paolo Giannozzi]

On Nov 6, 2010, at 13:56 , Masoud Nahali wrote:

> If I am correct , I feel that the non-orthonormality
> of atomic states on different atoms may affect
> the projected properties like PDOS.

it can affect projected properties because one can use
different techniques to project over a non-orthonormal
manifold, if I remember correctly.

P.
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222