[Pw_forum] Help: the error of computaion single atom

[Paolo Giannozzi]

On Oct 14, 2006, at 11:46 , shangyi wrote:

> Another question is that I added the keyword "nspin=2,  
> multiplicity=3" when I
> want to computate the N atom with spin, it stoped and displayed "some
> starting_magnetization MUST be set". The INPUT_PW says that  
> "multiplicity
> fixes the final value of the magnetization".

there is an inconsistency between what the documentation says and what
the code does. "multiplicity" and "tot_spin" are actually not  
working. This
will be fixed sooner or later

Paolo