Dear all,
I am trying to extract the partial density of states of a system in the
presence of the spin orbit coupling (SOC). For example in the j=3/2 file, we
have four columns as expected:
pdos(E)_1 pdos(E)_2 pdos(E)_3 pdos(E)_4
0.000E+00 0.000E+00 0.000E+00 0.000E+00
0.000E+00 0.000E+00 0.000E+00 0.000E+00
0.000E+00 0.000E+00 0.000E+00 0.000E+00
Which column corresponds to which mj value? What is the underlying order? Is it
-3/2, -1/2, 1/2, 3/2 or -3/2 3/2, -1/2, 1/2?
I tried to look at the PROJWFC documentation online but could not get a direct
answer for the SOC case. Any help would be appreciated.
Thanks in advance
Elie
Federal University of Rondonia
Brazil.
_______________________________________________
Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
users mailing list [email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
