[Wien] 4f and LDA+U

[Yongbin Lee]

two minor points

1.With "-orbc" option,  "runsp_lapw" does not call "x orb" and "x lapwdm -c" 
but just read existed "*.vorbup, and *.vorbdn" file and uses dose potentials 
for "x lapw1 -c -up and -dn" calculations. So if you want to use "-orbc", you 
need to have "*.vorbup", "*.veobdn" in your directory.

2. "-orbc" option is not for complex version of "orb"
If I understood correctly ( you used "-c" ), you wanted to use complex version.
Since there is not complex version of "orb" you need *.inorb not *.inorbc, I 
guess. You might want to check that "x orb" ran correctly and updated *.vorbup 
and *.vorbdn files.

Best Regards,
 Yongbin
      

 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien
>