Excited states by TURBOMOLE 5.7b

Anonymous — Fri, 23 Jan 2004 09:40:20 -0000

Dear Sir or Madam

I visualize my geometries and orbitals optimized by
TURBOMOLE 5.7b with VIEWMOL2.2. For the groundstate
everything runs well. However, for excited states
(TDDFT-methode) it doesn't show nither molecule
structure nor orbitals from the control file but only the
optimization history in respect of the Energy and the
gradient. The corresponding coord file is shown correctly
but of less use, since then I cannot apply orbitals.
Please, can you help me? Attached you find my files.

Faithfully yours
Dr. Wichard J. D. Beenken

Institut für Theoretische Chemie
Währinger Straße 17
A 1090 Wien
Austria

Phone: +43 1 4277 52749
Fax: +43 1 4277 9527
mailto:Wichard.Beenken@univie.ac.at

Change the topic

Noel O'Boyle — Wed, 27 Aug 2003 16:05:21 -0000

Why don't you change the 'Topic' of Viewmol to
Visualisation, Chemistry instead of just Visualisation. I
have only come across your program by accident,
although I've been looking for something exactly like it,
for a while.

Recent changes to feature-requests

Excited states by TURBOMOLE 5.7b

Change the topic