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Add pseudopotentials to be able to compute a more complex atom/molecule #3

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aromanro opened this issue Jul 28, 2022 · 0 comments
Open

Add pseudopotentials to be able to compute a more complex atom/molecule #3

aromanro opened this issue Jul 28, 2022 · 0 comments
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Local pseudopotentials would be very easy (see the python repository for an implementation), the ones available are non-local ones and make things more complex...
@aromanro aromanro self-assigned this Jul 28, 2022
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