[gpaw-users] fixmagmom and nbands

[Jussi Enkovaara]

Nichols A. Romero wrote:
> Hi,
> 
> Does fixmagmom=True impose a constraint on nbands?
> 
> Supposed my total initial magnetic moment is M and I have
> N valence electrons, then would nbands need to be at least:
> 
> nbands = N/2 + M

Yes, the above constraint applies (also without fixmagmom=True, if one wants to be 
able to obtain magnetization M).

Best regards,
Jussi