Normal modes visualisation with molden
klos... at yahoo.de
Fri Oct 19 11:20:59 CEST 2007
thanks for the quick answear.
> 1) you can play with a fake output Gaussian (to be built by yourself)
> cut&pasting normal modes and
> frequenciesin order to allow molden to read the frequencies and
> normal modes
Yes, I still work on that but I havn't figured it out yet.
> 2)wait a couple of days: i will check in the molden format (will send
> a message on this forum when it's ready).. this assumes
> that you've to redo the calculations then..
That would be great. With QS my calculations don't take as long as
with gaussian, so thats no problem.
Thanks for your Help
More information about the CP2K-user