From: Urs L. <urs...@ks...> - 2016-10-08 13:18:20
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Hi, I am trying to visualize the overall electron density of a molecule on a planar slice. Unfortunately, the following combinations of commands do not work: mo density mo plane "xy" or mo [1.0 1, 1.0 2, 1.0 3, 1.0 4, 1.0 5] SQUARED mo plane "xy" It seems that "mo plane" invariably combines the orbitals linearly instead of summing up their squares. I would appreciate some hints very much, Thank you very much Urs -- Urs Leisinger Fachschaft Chemie Kantonsschule Zug Lüssiweg 24 6300 Zug -- Urs Leisinger Fachschaft Chemie Kantonsschule Zug Lüssiweg 24 6300 Zug |