[Wien] Problem in SP+SO calculation

[Shunli Shang]

Dear Prof. Blaha,

Thanks for your explanation, without the addition of RLO (relativistic LOs)
for Fe, the SP+SO calculation works well.

I also would like to thank Torsten Andersen for your suggestions.

Best regards,
Shunli Shang

>
> At present I can only repeat my warnings: Use the relativistic LOs with
care,
> and check/compare your results without them. They should be hardly needed
> for light elements like Fe.
>
>                                       P.Blaha