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