How can I do unrestricted calculation (nspin=2) and spin-orbit coupling (nspin=4) simultaneous in Quantum Espresso and plot the band structure for spin up and down separately (spin_component = 1 or 2)?
I try it but it seems as below in SCF input file:
.
.
.
noncolin = .true.
lspinorb = .true.
start_magnetization(1) = ...
nosym = .true.
...
and in bands input file use:
.
.
.
spin_component=1 or 2
....
but it just true only we don't try spin-orbit coupling because of noncollinear calculation, is there any way to apply them together?
Esmaeil Pakizeh
Hi
> lda_plus_u=.TRUE. > > Hubbard_U(2)=4.5, > > lspinorb=.true., > > noncolin=.true.,
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A. Baradaran
Dear Mr. Pakizeh
you suggest that use Hubbard model here, are you sure it has truly execution with plot bands in spin_component=2 too?
thank you
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