[QE-users] help for pdos calculation for SOC

[Giovanni Cantele]

>From the documentation:
https://www.quantum-espresso.org/Doc/INPUT_PROJWFC.html
In the non-collinear, spin-orbit case (i.e. if there is at least one
fully relativistic pseudopotential) wavefunctions are projected
onto eigenstates of the total angular-momentum.
Projected DOS are written to file "filpdos".pdos_atm#N(X)_wfc#M(l_j),
where N = atom number , X = atom symbol, M = wfc number, l=s,p,d,f
and j is the value of the total angular momentum.

So, you should definitely get PDOS for individual atoms.

No other hint can be provided unless you provide more information (e.g.
list of files you find after running projwfc.x, output or part of it of
projwfc,it, and so on).

Giovanni
-- 

Prof. Giovanni Cantele
Dipartimento di Fisica "Ettore Pancini"
Universita' degli Studi di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at unina.it
Phone: +39 081 676910

Web page: https://sites.google.com/view/giovanni-cantele/home


Il giorno dom 8 mar 2026 alle ore 19:56 A.K.Md.Farid ul Islam via users <
users at lists.quantum-espresso.org> ha scritto:

> Dear,
> when i run projwfc.x for SOC system, i cannot get pdos for individual
> atoms of that system. How can i overcome it.
> Dr. Farid
>
> _______________________________________________________________________________
> The Quantum ESPRESSO Foundation stands in solidarity with all civilians
> worldwide who are victims of terrorism, military aggression, and
> indiscriminate warfare.
>
> --------------------------------------------------------------------------------
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20260308/b6edbdb3/attachment.html>