Hello to ADF-List,

I have a question relative to the reliability of the basis set.

I employ the adf-band package, and when I do calculations with the standard
basis set I sometimes obtain high negative values for the projected density
of states.

As the PDOS depend on the basis set, I would like to know if that means that
I have to modify the parameters of the basis set until I have non-negative value
of the PDOS.

Thanks
Received on 1999-06-24 13:35:43