See block SyntheticAtoms in the manual and programs 'mixps' and 'fractional' in Util/VCA.
In siesta 3, there is an utility generating pseudo-H potentials (i.e.
with partially charged core) by simply rescaling the normal
pseudopotential of H.
- [SIESTA-L] Fractional H occupation Pavan K. Pillalamarri
- Re: [SIESTA-L] Fractional H occupation Scott Beckman
- Re: [SIESTA-L] Fractional H occupation Alexander Vozny
