On Wed, Apr 03, 2013, Deák Robert wrote:
> 1080 means: you have 360 atoms in the analyzed system, so 1080 coordinates.
> After this number, the vecs file contains the components of the normal mode
> vectors, where each vector has 1080 coordinates.
> So after every 1080 numbers begins the next normal vector.
Note that the first set of 1080 numbers contain the coordinates at the
minimum. Also note that the frequency of the modes (in cm**-1)
is given right before each mode (right after the line with "****").
...dac
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Received on Wed Apr 03 2013 - 08:30:03 PDT
