NumForce -- view Frequencies in molden

[basklau]

HI,

is there any possibility to view the vibrational frequencies obtained from a NumForce calculation in molden or in a similar program?

Many thanks basklau

[Arnim]

Hi,

there are different ways to do that.
I usually use the script aoforce2g98 (in $TURBODIR/scripts), then you can view it in jmol or molekel.

Best,
Arnim

[arek1arek]

Hi,

...
I usually use the script aoforce2g98 (in $TURBODIR/scripts), then you can view it in jmol or molekel.
...

I have TURBOMOLE 5.9 and there is no aoforce2g98 script in the scripts folder. Is a similar tool available for version 5.9 of TURBOMOLE?

Arek

[antti_karttunen]

I have TURBOMOLE 5.9 and there is no aoforce2g98 script in the scripts folder. Is a similar tool available for version 5.9 of TURBOMOLE?

You can find a similar tool, aoforce2g94.py, from http://www.helsinki.fi/~mpjohans/scripts/