I am not talking about partial DOS...I want to know about partial band structure...I know how to calculate partial DOS by using fmpdos.f...
On Mon, Apr 27, 2015 at 11:42 AM, <fthe...@iesl.forth.gr> wrote: > Yes. It is easy to be done, thanks to Andrei Postnikov's utility fmpdos.f. > You have to use as input the xxxx.PDOS output file of SIESTA and another > file where you include details on which partial DOS you want (atom and/or > orbitals). > > > > Dear User > > As we all know partial density of states can be calculated easily by > using > > SIESTA...But in many papers I have seen partial band structure that is > > which band is due to which orbital...is there any way to do that in > > SIESTA.. > > > > -- > > > > > > > > *Senior research fellow Dept. of Physics, University of Calcutta Kolkata- > > 700009, West Bengal, India.* > > * Ph no-+91-9830512232* > > > > > ********************************************************* > 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*
