Dear ADF users and others interested,
SCM proudly announces the release of version ADF2005, with the
* Significant improvements in ADF graphical user interface, more
powerful visualization and input builder
* Delocalized coordinates and Nudged Elastic Band methods for geometry
optimization and transition state search
* Faster gradients for large molecules and faster analytic second
derivatives (for VWN functional)
* Improvements for numerical frequency calculations (e.g. for
artificial imaginary frequencies)
* Open-shell TDDFT, including spin-flip excitations
* Several other enhancements. For a complete list, check our web page:
Initially, we have made ADF2005 available for Windows, Mac OS X, and PC
Linux Redhat 9 (and compatible
recent Linux varieties). Several other platforms will be added during
the following weeks.
ADF users can obtain version ADF2005 from our download page:
Meet us in person at the ADF workshop at the ACS meeting in Washington
next week, or in booth 738!
You can contact us at support_at_scm.com with any questions or problem
We trust that you will consider ADF2005 a step forward in your DFT
Stan van Gisbergen, on behalf of the SCM team.
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Received on 2005-08-26 16:32:18
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