If it hasn't changed recently, the order of orbitals should be given by growing values of |m|, thus from 0 to l (0 to 3 in your case).
Best, Matteo Il giorno sab 25 apr 2020 alle ore 06:18 Christoph Wolf <[email protected]> ha scritto: > Dear all, > > Does anyone know where to find the orbital order for the occupation matrix > in PWSCF's Hubbard U for l=3? for l=2 I can see the orders on the manual > for projwfc.x but I was unable to find it for the f-electrons! > > Best, > Chris > > -- > Postdoctoral Researcher > Center for Quantum Nanoscience, Institute for Basic Science > Ewha Womans University, Seoul, South Korea > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Matteo Cococcioni Department of Physics University of Pavia Via Bassi 6, I-27100 Pavia, Italy tel +39-0382-987485 e-mail [email protected] <[email protected]>
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
