[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
>
>
More information about the Wien
mailing list