Can you provide us any reference.. On Sun, Apr 12, 2015 at 1:23 PM, <[email protected]> wrote:
> This is a well known "problem", but has not to do with SIESTA. It has to > do with the physical meaning of the decomposition of DOS to PDOS. If you > decompose to orbitals with different orientation you may probably not have > those "problems". > > Zacharias Fthenakis > > > Dear siesta users, > > Has any one encountered the problem of negative value of projected DOS > > which is calculated with the mprop utility? It seems quite unreasonable > > for me, any ideas how this come out? > > > > Best regards, > > Bing > > > ********************************************************* > Dr Zacharias G. Fthenakis > Research Associate > Institute of Electronic Structure and Laser (I.E.S.L.) > Foundation for Research and Technology Hellas (FO.R.T.H.) > Vassilika Vouton P.O. Box 1527 71003 Heraklion Crete Greece > Phone +30 2810 391824 > FAX +30 2810 391305 > webpage: http://esperia.iesl.forth.gr/~fthenak > ********************************************************** > > -- *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- 700009, West Bengal, India.* * Ph no-+91-9830512232*
