[Wien] Calculation with spin-orbit coupling

Peter Blaha pblaha at theochem.tuwien.ac.at
Thu Feb 5 08:11:27 CET 2009


SO without spinpolarization does not break symmetry, thus you still can 
run the "real" version and don't need a case.in1c

Jian-Xin Zhu schrieb:
> Dear users,
> 
> I am trying to do the calculations with spin-orbit coupling but  
> without spin polarization.
> After I ran initso_lapw, a file named case.in1c was created.
> However, when I opened it, it turned to be empty.
> Is there anything wrong here?
> 
> Thanks,
> 
> Jianxin
> 
> 
> 
> 
> _______________________________________________
> Wien mailing list
> Wien at zeus.theochem.tuwien.ac.at
> http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien


More information about the Wien mailing list