[Wien] DOS with SOC

Karel Vyborny vybornyk at fzu.cz
Fri May 17 16:28:07 CEST 2024


Dear Gary,

start with lapw1 (don't forget -qtl) and then lapwso.

Kind regards,

Karel


On Fri, 17 May 2024, Gary Amini wrote:

> Dear all,
> 
> When calculating DOS with SOC, is it correct to do
> 
> x lapw2 -so -up -qtl
> x lapw2 -so -dn -qtl
>   
> x tetra -up -so
> x tetra -dn -so
> 
> or should we run lapwso also?
> 
> Best,
> Gary
> 
>


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