If you want it to coincide with existing atom, change it's charge by a VERY small amount (usually you want small point charges to remain in the linear response regime) If your point charge should be in a different place, simply put a pseudo-hydrogen atom with a very small charge (using the pseudo generated by the above program). But since we are still working with pseudopotentials your potential would represent a real point charge only beyond some distance (~1A).
Look at the SyntheticAtoms option in manual and 'fractional' program in
the Util/VCA.
- [SIESTA-L] Adding point charges Ambrosio, Francesco
- Re: [SIESTA-L] Adding point charges Oleksandr Voznyy
- RE: [SIESTA-L] Adding point charges Ambrosio, Francesco
- RE: [SIESTA-L] Adding point charges Ambrosio, Francesco
- Re: [SIESTA-L] Adding point charges Oleksandr Voznyy
