[Wien] orb moment

[Peter Blaha]

Try RINDEX=0 and LSINDEX=0.

If lapwdm still fails, it could be due to an inconsistency of symmetso and
lapwdm (in particular for hexagonal system with moment in (100) direction. 
We are working on this problem.


> The system is a single atom in a supercell, 1-kpoint, GGA.
>   To get the orbital moment printed in the output file,
> I use the following step:
> 
> 1) self-consistent spin-polarizaed, spin-orbit calculation.
> 2) use lapwdm (x lapwdm -up -p -c -so) to get orbital moment
> in case.outputdm file.
> 
> this need to be run once(either up or dn) as up/dn has no 
> meaning in SO calculation.
> 
> The case.indm file contains 
> RINDEX=1, LSINDEX=3
> 
> are the steps correct?
> 
> sahu
> 
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                                      P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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