[QE-users] Hubbard U orbital order for l=3 states

Matteo Cococcioni matteo.cococcioni at unipv.it
Sat Apr 25 23:11:52 CEST 2020


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
<wolf.christoph at qns.science> 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
>
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-- 
Matteo Cococcioni
Department of Physics
University of Pavia
Via Bassi 6, I-27100 Pavia, Italy
tel +39-0382-987485
e-mail matteo.cococcioni at unipv.it <lucio.andreani at unipv.it>
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