[Octopus-users] Local magnetic moments

[fampl at usc.es]

Dear Octopus-users,

I have been performing some computations in small silver cluster with
octopus2.0.1. However, I'm mystified wiht the values of the local magnetic
moment calculated by octopus for Ag3. They are:

Total Magnetic Moment:
 mz =   1.000000
Local Magnetic Moments (sphere radius [A] =   1.302):
 Ion                    mz
   1        Ag       0.177066
   2        Ag      -0.006602
   3        Ag       0.177135

The total magnetic moment is 1 bohr magneton and it is right but the local
magnetic moment of Ag1 and Ag3 atoms should be close to 0.5 bohr magnetons
whereas the local magnetic moment of Ag2 is close to 0. Are the units of the
local mangetic moment reported by octopus in bohr magnetons? or maybe it should
be multiplied by a predefined factor.


Best Regards,
Manuel.