[Wien] Spin orbit coupling problem

[susanta mohanta]

You have to provide case.indm, case.indmc and case.inorb and edit it
properly and then do initso_lapw and then run the command.
for just spinorbit coupling run runsp_lapw -so  -orb -i 100 -ec 0.0001 -cc
0.0001 -fc 1.0.hope this helps

susanta

2009/4/8 Aaron <nkleof at gmail.com>

> Dear wien2k developers and users:
>
>     I have a problem about spin-orbit coupling calculation. I followed the
> procedure listed below:
> 1) Do a general scf calculation:  runsp_lapw -eece -it0 -p -i 100 -ec
> 0.000001 -NI
> 2) initso
> 3) runsp_lapw -so -eece -dm -it0 -p -i 100 -ec 0.000001 -NI
> But the calculation stoped with following message in step 3:
>
> >   stop error: the required input file hybrid.indmc for the next step
> could not be found
>
> Do I need .indmc file? I didn't find any description of this file in
> user-guide.
> Any advice is appreciated.
>
> Best regards,
> Aaron
>
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