You mean when there is one electron, the number of total spin is 1 not 0.5?
I'd say so. Here is what manual says:TotalSpin: Value of the imposed total spin polarization of the system (in units of the electron spin, 1/2).
You can always recheck the Qup-Qdown in the output (again it is the amount of electrons with spin up and down, not the spin itself, and it has(?) to be integer).
