[ADF-LIST] VDD analysis

Renan Vidal Viesser renan.viesser at gmail.com
Fri Jul 2 03:03:26 CEST 2021

Dear ADF users,

I've been calculating the Voronoi charges for some planar molecules with a
Cs symmetry.
I'd like to do a decomposition of the Voronoi Deformation Density (VDD)
into AA and AAA irreducible representations; however, my outputs only
contain the total VDD charge for each atom.
Does anyone know how to perform that decomposition? Is there a specific
keyword to ask ADF2018 to print it?

Best regards
--
Renan Vidal Viesser
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