[Wien] DOS with GGA+U and SO

[tran at theochem.tuwien.ac.at]

If this is a complex calculation (no symmetry inversion) then you need also -c

F. Tran

On Mon, 29 Jul 2013, pluto at physics.ucdavis.edu wrote:

> Dear Wien2k experts,
> 
> I have a problem calculating DOS when both GGA+U and SO are switched on. I
> tested on bulk Gd. I tried different options directly after SCF (x lapw2
> -qtl -up -so, x qtl -up -so). The position of the f-bands comes out
> different in DOS and different in band-structure calculation (which I
> perform after DOS calculation). I suspect either that SO is not on when
> calculating DOS...
> 
> It would help me if an expert could list the correct sequence of programs
> after SCF to obtain the correct DOS with GGA+U and SO.
> 
> Regards,
> Lukasz
> 
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