Dear all,
I wonder if there is a reasonably performing Ce PP, US or NC , with 12 valence
electrons and non-linear core correction.
Thank you,
Mostafa
MIT
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Dear all
I saw few papers include the orbital weight in their calculated band
structure. For example, certain band energy is contributed by hybridization
from "s & p" orbitals including how much percent of each orbital. Or see
the example page(http://gvallver.perso.univ-pau.fr/?p=587)
It there an