TURBOMOLE Users Forum

TURBOMOLE Modules => Aoforce and Numforce => Topic started by: peiden on August 02, 2012, 04:11:33 PM

Title: disable "file=vibspectrum"
Post by: peiden on August 02, 2012, 04:11:33 PM

Hi,
is there an option to disable the setting "file=vibspectrum"? I really would like to have this output in my control file (as it has happened with older TURBOMOLE versions).
Thank you and kind regards,
Philipp Eiden

Title: Re: disable "file=vibspectrum"
Post by: Arnim on August 07, 2012, 04:04:52 PM

Hi,

you just have to write
$vibrational spectrum
in the control file before running aoforce.

Cheers,

Arnim