[gpaw-users] band occupations

[Pawel Zawadzki]

Dear Users,

I am calculating a system with 31 electrons.
But when I sum occupations (divided by the kpoint weight) at the gamma 
point I get 29 electrons in total, 13 and 16 in 1/2 and -1/2 spin 
channels, respectively.

Is this right?

Gamma point:
################
spin 1/2
KS eigenvalues [Ha], occupations/k.weight
-0.821031392715 1.0
-0.769530281476 1.0
-0.769530281476 1.0
-0.769410555845 1.0
-0.335959984098 1.0
-0.335959984098 1.0
-0.335959984098 1.0
-0.242072030451 0.999999935448
-0.242072030451 0.999999935448
-0.242072030451 0.999999935448
-0.242010234931 0.99999993324
-0.242010234931 0.99999993324
-0.242010234931 0.99999993324
-0.195906638232 0.000189921954503
-0.195906638232 0.000189921954503
-0.195906638232 0.000189921954503
-0.0265704483112 3.72007597602e-44
...
13 electrons of spin 1/2

################
spin -1/2
KS eigenvalues [Ha], occupations/k.weight
-0.833574545265 1.0
-0.784179945114 1.0
-0.784179945114 1.0
-0.783665635412 1.0
-0.344750327264 1.0
-0.344750327264 1.0
-0.344750327264 1.0
-0.25476890016 1.0
-0.25476890016 1.0
-0.25476890016 1.0
-0.254516135642 1.0
-0.254516135642 1.0
-0.254516135642 1.0
-0.210365858717 0.999999999504
-0.210365858717 0.999999999504
-0.210365858717 0.999999999504
-0.0297526319671 4.12554355103e-34
...
16 electrons of spin -1/2

BR
Pawel