Changed by: xavier
Changed at: Fri 03 Aug 2012 16:31:35
Revision: 9225

Changed files:

• src/states/smear.F90

Bugfix: Octopus had problems with degenerated HOMOs. 

With semiconductor smearing all states at the Fermi level were given
the same occupation, even when there weren't enough electrons. The
problem appeared, for example, when a spin polarized system (with an
odd number of electrons) had exactly the same eigenvalues for spin up
and down. Now Octopus counts the number of states it can fill at the
Fermi level. 

It would be nice if someone could review my change. I am not sure
whether this is correct for all cases.