Lowdin population analysis


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Forum Vet
1:48:22 PM PDT - Fri, Sep 13th 2013
Mahbub, the keyword mulliken in the dft input section triggers the the Löwdin analysis, too


start lih

geometry
 li 0. 0. 0.
  h 0. 0. 1.
end

basis
 * library ahlrichs_vtz
end

dft
 mulliken
end

task dft