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$p$-elements, excluding first row

For most $p$-elements presently only one potential is available. For Ga, Ge, In, Sn, Tl, Pb, and Bi the lower lying $d$ states are treated as valence states ( _d potential). For Ga and Ge, alternative potentials which treat the $d$ states as core states are available. Please mind, that these potentials have significantly smaller core radii than the corresponding US-PP (similar to the hard norm conserving potentials previously supplied).



Georg Kresse
2007-03-01