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Implement GTH/HGH pseudopotentials

Open davidbowler opened this issue 1 year ago • 0 comments

If we can implement the GTH/HGH pseudopotentials (fully separable, Gaussian functions) then we will have a source of lower accuracy potentials than the ONCVPSP potentials (often without semi-core or partial core corrections) which will be faster and better for linear scaling. It should be relatively simple.

davidbowler avatar Jul 10 '23 11:07 davidbowler