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 **********************************************************
