[Wien] Problem with orbital moment.

[Ruben Weht]

Dear Jan,

Thanks a lot for your answer.
You are right, the program stops because it finds an error
in a symmetry. 
It finds a determinant equal to 0.5 and then stops.

I think I am using the correct struct file, the one that 
came from initso.

The symmetries that lapwdm does like are like this one:

-1 1 0 0.0000000
 0 1 0 0.0000000
 0 0-1 0.0000000

(remember this is an hexagonal system....).

Anyhow, I will try to check it again.....

Thanks a lot,

   Ruben



> Ruben,
> 
> when you put your magnetization in plane the symmetry of the
> system is  lowered. Lapwdm uses the symmetry (case.struct) and if
> it is inconsistent  with the magnetization direction it should
> stop (and it seems that  nomessage is produced). This looks like
> to be your problem (check your  output file for massages like det
> = 0 or similar). In any case make sure  that you use the proper
> symmetry (and corresponding klist).
> 
> Jan 
>