Hello people, I'm learning how to use the pdosxml and I found one issue with the results of PDOS: I'm extracting the projected DOS from a silicon nitride calculation, and when I get the PDOS per atom species (N or Si) I have contribution of the "*d*" orbital (l = 2). However, Si and N atoms does not have electron occupying *d* orbitals. So, what means this result ? The contribution of states with l=2 are numerical residues ? Or really there is occupation of the d orbitals in the Siesta calculation ?
Thanks for your time, Weslley.
