from PP/src/bands.f90 :
IF (spin_component/=1.and.nspin/=2) &
CALL errore('punch_bands','incorrect spin_component',1)
So, you’ll never get a spin-up and spin-down band structure unless you specify
in your input
spin and strarting_magnetization variables.
Giovanni
PS see also pw.x input
Please, any insight would be much appreciated.
Thank you,
Hank Seeley
On 2016/07/22 14:13, Henry J Seeley wrote:
> Hello QuantumEspresso community,
>
> I finished performing some spin-orbit calculations on Lead Sulfide,
> and I'm now attempting to separate out the electron bands with respect
> t
Of course I meant to include that I used the following in 'SYSTEM':
"
noncolin = .true. ,
lspinorb = .true. ,
"
Sorry,
Hank Seeley
On 2016/07/22 14:13, Henry J Seeley wrote:
> Hello QuantumEspresso community,
>
> I finished performing some spin-orbit calculations on Lead Sulfide, and
> I'm
Hello QuantumEspresso community,
I finished performing some spin-orbit calculations on Lead Sulfide, and
I'm now attempting to separate out the electron bands with respect to
their spins (up/down). Using 'bands.x' with the 'spin_component' option,
I hoped to receive spin up or down eigenvalues.
