[cclib-devel] Fwd: CCL: Amsterdam Density Functional software, version ADF2007 released

[Karol L. <kar...@kn...>]

Just in case someone didn't get in on CCL - Karol

----------  Forwarded Message  ----------
Subject: CCL: Amsterdam Density Functional software, version ADF2007 released
Date: Monday 03 September 2007 09:09
From: "Stan van Gisbergen vangisbergen~~scm.com" <own...@cc...>

Sent to CCL by: Stan van Gisbergen [vangisbergen]_[scm.com]
Dear CCL subscribers,

The Amsterdam Density Functional package (ADF) is a premium quality
software package for quantum chemistry and materials science research
using Density Functional Theory (DFT). ADF offers various
spectroscopic properties and environment models for almost any
molecule, and excels at transition metal and heavy element compounds.

Scientific Computing & Modelling (SCM) has now released version
ADF2007 (http://www.scm.com/News/NewinADF2007.pdf).
* For periodic structures (BAND program): Geometry optimizations and
Time-Dependent DFT enhancements
* GUI enhancements: remote job control, export movies, more
visualization options, surface builder
* Improved geometry optimization, transition state search, and SCF
convergence
* Vibrational Circular Dichroism spectra
* MO6 xc energy functionals
* Parallel Windows desktop version
* Spin-orbit coupled gradients
* Check the release notes for other enhancements: http://www.scm.com/
Doc/Doc2007.01/Background/Updates/page1.html

Download a free 30-day trial: http://www.scm.com/SCMForms/
TrialRequest.jsp or contact us for further information.

Best regards, Stan van Gisbergen, on behalf of the SCM team.
http://www.scm.com                     E-mail: info|-|scm.com

-- 
written by Karol Langner
Tue Sep  4 21:16:03 EDT 2007