Normal modes visualisation with molden
klos... at yahoo.de
Fri Oct 19 15:57:28 CEST 2007
>the output of the normal modes at the end of cp2k resembles the one of Gaussian.
The output of QS ist similar to Gaussian.
Molden by the way reads the exact Gaussian output.
> For sure we will implement them in the next weeks (anyway it has a
> very low priority)..
If it doesn't produce much extra work it would be gread if you could
modify the QS normalmode and xyz output to Gaussian.
Will you post a message anywhere when this is done?
Thanks a lot.
More information about the CP2K-user