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Local pseudopotential with ionic pseudopotentials

Open davidbowler opened this issue 4 years ago • 0 comments

We need to check the details of the local potential calculations when not using the neutral atom for ionic (i.e. non-neutral) pseudopotentials. In particular, whether zval is the correct value to use in pseudo_tm_module.f90 where we calculate the energy shift and long-range contributions.

davidbowler avatar May 15 '20 10:05 davidbowler