[Wien] Problem with jumping forces

[Stefaan Cottenier]

> > I am having some problems with the force in my calculation.
> > I'm working in a supercell with a cluster of 2 Co-atoms near
substitutional positions in an fcc Ag host (32
> > atoms in the cell), the calculations are performed for a nonmagnetic
case, with spin-orbit-coupling.
>
> Sorry, but you should not use the forces together with spin-orbit
coupling.
>
> This additional term shouzld also give a term for the forces, which is
> not implemented.
>
> Use forces only without SO.


Oops !!? I'm very much surprized, as I don't remember to have heard this
ever before. A quick check of the UG shows no information on this. Is it
possible to put a warning in the UG, and/or to let the code stop when one
tries to use forces with SO? (e.g. scf-cycle refuses to start when -so
and -fc are used simultaneously, AND lapw2c stops whith an error message
when -so is used and FOR is detected in case.in2c)

Stefaan