No, BSSE would save maybe 0.5 eV but not 5eV. My guess, is that you have to do SpinPolarized calculation for single atom.
- [SIESTA-L] WHY? a.s. shalabi
- [SIESTA-L] too large cohesive energy for Fe Süle Péter
- Re: [SIESTA-L] too large cohesive energy ... Marcos Veríssimo Alves
- Re: [SIESTA-L] too large cohesive ene... Alexander Vozny
- Re: [SIESTA-L] too large cohesive... Süle Péter
- Re: [SIESTA-L] Core corrections ladmello
- Re: [SIESTA-L] WHY? Jose A. Torres
- RE: [SIESTA-L] WHY? a.s. shalabi
