I have been studying a magnetic material with SoC taken into consideration. The main aim was to obtain the band structure.
when I use spin_component = 1
in the bands.x input file, I get a bands.dat file containing the bands for the spinup configuration.
But on using spin_component = 2
, it throws the following error.
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Error in routine punch_bands (1):
incorrect spin_component
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I found this discussion on the pw-Forum, in which it was stated that:
In the spin-orbit case starting with zero starting_magnetization on all atoms imposes time reversal symmetry. The magnetization is never calculated and kept zero (the internal variable domag is .FALSE.).
So is there a way to obtain the spin-polarized bandstructure in Quantum ESPRESSO whilst taking into consideration Spin-Orbit Coupling?