Core energy

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Forum Vet

2:22:47 PM PDT - Wed, Sep 5th 2012
For the planewave module or for Gaussian basis sets with Stuttgart or other ECPs? I don't think there is such thing defined for ECPs. Bert Quote:Chloe Sep 5th 6:40 pm Hi, Does anyone know if there is a way of finding the core energy of an atom (when using pseudopotentials) as the VASP code does? Chloe