[molpro-user] AIMS trajectory starting from saddle point
gabrielnfreitas at gmail.com
Thu Aug 8 03:05:19 BST 2013
Dear molpro developers/users,
When I try to run AIMS trajectories starting from saddle point geometries,
I put only the real modes of vibration in 'FrequenciesMP.dat', but get the
following error message:
Error in FrequenciesMP.dat
Number of frequencies =/= 3N-6
Error in ReadFreq
Is there any way to avoid it? I would just add the imaginary modes in the
list as if they were real vibrations?
Thanks in advance,
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