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by 413
25 Nov 2019, 13:53
Forum: Running LSDalton
Topic: Calculations on noble Pt, Au with LSDalton
Replies: 3
Views: 938

Calculations on noble Pt, Au with LSDalton

Hi, all experts,

I noticed in the lsdalton manual that "The LSDalton program does not support the use of effective core potentials"

This means that I cannot use lsdalton to get the localization orbitals of Pt/Au-containing complexes. Am I right?

Thanks.