[Pw_forum] Unable to separate respective spin eigenvalues? SORRY, UPDATE

[Henry J Seeley]

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 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. I'm having some trouble
> however; when I try this option on 'spin_component=1', I receive all my
> bands back (no spin separation), and when I use 'spin_component=2' I 
> get
> the following error:
> 
> "
>       Error in routine punch_bands (1):
>       incorrect spin_component
> "
> 
> Perhaps this is related to my XC functional or pseudopotential?
> Here are the relevant parts of my SCF input file:
> 
> 
> "
> &CONTROL
>    ...
>    wf_collect = .true. ,
>    verbosity = 'high' ,
> /
> 
> &SYSTEM
> ...
>    noncolin = .true. ,
>    lspinorb = .true. ,
> /
> 
> ATOMIC_SPECIES
>    Pb 207.200000d0 Pb.rel-pbe-dn-kjpaw_psl.0.2.2.UPF
>    S 32.065000d0 S.rel-pbe-n-kjpaw_psl.0.1.UPF
> "
> 
> 
> Thank you very much for your time,
> Hank Seeley
> Chemistry Department, University of Oregon
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