Mull. Pop. Analysis of the orbitals

Posted by Coen de Graaf on December 28, 1999 at 15:26:31:

Hi,

In order to get a quick (although probably 'dirty') impression of the orbitals that come out of (RAS)SCF or any other MOLCAS module, I have written a small program that prints out the Mulliken population analysis at the orbital level. The program is more or less integrated in MOLCAS and you can get it by sending me an e-mail.

Coen de Graaf
Barcelona

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: Hi, : In order to get a quick (although probably 'dirty') impression of the orbitals that come out of (RAS)SCF or any other MOLCAS module, I have written a small program that prints out the Mulliken population analysis at the orbital level. The program is more or less integrated in MOLCAS and you can get it by sending me an e-mail. : Coen de Graaf : Barcelona