[CP2K:356] Re: Normal modes visualisation with molden

Teodoro Laino teodor... at gmail.com
Fri Oct 19 13:22:47 UTC 2007

for intensities you need the derivatives of the dipole moment w.r.t.  
normal modes.
We can compute the dipole moment.. so in principle you can always  
compute by
hand the derivatives of the dipole moment once you know the normal  

For sure we will implement them in the next weeks (anyway it has a  
very low priority)..

On 19 Oct 2007, at 14:32, woody wrote:

>> you can just read them at the end of the output.. Beware, intensities
>> are
>> not yet provided..
> Hm, thats not good...
> Actually I haven't noticed that yet.
> There are only Frequencies, Reduced Masses and Force constants
> available, right?
> You mean that there is no way (maybe another keyword?) to get the
> intensities at this moment?
> woody
> >

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