Dear All,

Could you please show me how to change the number of electrons to be treated as valence electrons? For instance, when I choose the ultrasoft potential (PBE_00.uspcc) for Cobalt atom, number of valence electrons are 9. It means that electrons on 3d7 4s2 will be treat as valence electrons. However, some literatures mentioned that we must treat the electrons on p orbilal as valence electrons also. It means 3p6 3d7 4s2 should be valence electrons.

Thanks and Best regards,

Le Hong Vu