Sent to CCL by: "Tian Lu" [sobereva||sina.com]
Dear Cina,
This is not very true. Multiwfn program (http://multiwfn.codeplex.com) also fully supports .wfx file
and supports the EDF field, which is defined in .wfx format to represent
inner-core electron density.
Multiwfn can do AIM analysis quite well, and can also easily plot high-quality
contour map for numerous kinds of real space function (e.g. rho, laplacian of
rho, ELF, LOL, eletrostatic potential, energy density...). Many related examples
can be found in Section 4.2, 4.4 and 4.17 of the manual.
Best wishes,
Tian Lu
----- Original Message -----
> From: "Cina Foroutan-Nejad canyslopus[*]yahoo.co.uk"
<owner-chemistry . ccl.net>
To: "Lu, Tian " <sobereva . sina.com>
Subject: CCL: AIM2000 vs wfx file
Date: 2014-02-17 02:21
Dear Dr. Ajayakumar,
As you mentioned, the only software that supports auxiliary basis functions is
AIMAll. You have no choice unfortunately. AIM2000 neither supports auxiliary
basis functions nor g-functions; though, you will have no problem with that
since you are working with aug-cc-pvtz basis set.
Good luck,
Cina
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Cina Foroutan-Nejad, PhD
National Center for Biochemical Researches,
Masaryk University, Brno,
Czech Republic https://muni.academia.edu/CinaForoutanNejad