[Wien] problem in spin orbit coupling

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Wed Mar 12 12:21:37 CET 2014


Hi,

there is no option -so with x lapw1(c).
For which purpose do you want to do that?
If you want to calculate the wave functions
for k-points other than those of the completed
calculation, then you have to do
x lapw1c
x lapwso

On Wed, 12 Mar 2014, Saleem Ayaz wrote:

> Dear user 
> I done spin orbit coupling calculation without spin polarization for
> InP0.75Bi0.25 in parallel mode
> The calculations are completed
> I run the command 
> x lapw1c -so
> but still the InP0.75Bi0.25.energyso and InP0.75Bi0.25.vectorso are empty.
> Please help me 
> 
> Regards
> 
>


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