CCL:Viewing diffuse orbitals
- From: Anastassia Alexandrova <alexandrova :: cc.usu.edu>
- Subject: CCL:Viewing diffuse orbitals
- Date: Wed, 04 May 2005 13:18:05 -0600
In MOLDEN you can play with space and egde values.
Those can be adjusted by using 'space' button, and by using 'Plot Plane'=>
type
edge=LargeValue (like 40 may be) for diffuse orbitals.
--
Anastassia N. Alexandrova, PhD
Chemistry & Biochemistry, USU
0300 Old Main Hill
Logan Utah 84322-0300
Tel: +1-435-797-7507
Fax: +1-435-797-3390
Web: http://boldyrev.usu.edu/alexandrova.php
Quoting Nicolas Ferri <nicolas.ferre :: up.univ-mrs.fr>:
> Dear ccl,
>
> I am looking for an orbital viewer, with special interest on very
> diffuse functions, actually Rydberg-type orbitals obtained from a molcas
> job. I just tried molden, without luck. Maybe I am missing a trick with
> molden, but I don't believe that there exists a zoom in molden's orbital
> mode.
>
>
> --
> *********** Dr. Nicolas Ferre' ***********
> Laboratoire de Chimie Theorique et de Modelisation Moleculaire
> UMR 6517 - CNRS Universites Aix-Marseille Case 521
> Centre de Saint-Jerome 13397 - Marseille Cedex 20, France
> Tel : (+33)4.91.28.27.33 Fax : (+33)4.91.28.87.58
> http://www.up.univ-mrs.fr/wsrep/ctheo/lctmm.html
> ***************************************************************
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