Hello All,
I am wondering if there is a way to add external potential at atomic
sites or as grid file in siesta calculations.
In short, can the potential (Electrostatic and/or Total) calculated and
saved in NetCDF format can be used in another siesta calculation
(keeping the grid, unit-cell dimensions the same). Also, is it possible
to add external potential distribution from other sources (such as
COMSOL) in siesta calculations? The potential distribution is non-linear
and non-uniform but static.
Any insights would be really helpful.
Regards.
Anshu
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SIESTA is supported by the Spanish Research Agency (AEI) and by the European
H2020 MaX Centre of Excellence (http://www.max-centre.eu/)
