[Wien] DOS-SO

[Gavin Abo]

Most likely, you need to do the "x lapw1 [-up | -dn]" steps shown in 
w2web before running "x lapw2 -qtl [-up | -dn] -so" [ 
https://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09896.html 
].

On 10/26/2014 5:18 PM, Mohammed Abujafar wrote:
> Dear WIEN2k Users,
> I have calculated the band structure &  electron charge density  with 
> spin orbit coupling(SOC)  for ScN compound in RS structure without 
> errors.When I calculate the DOS with SOC, I got the following:
>  FERMI - Error
> 0.045u 0.002s 0:00.04 100.0%0+0k 0+40io 0pf+0w
> How can I fix it ?
> Thanks a lot for your help.
> Mohammed

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