Frequency output
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What is the unit of the atoms displacements vectors coordinates in frequency output?
7:23:15 AM PDT - Wed, May 2nd 2012

Forum Vet
9:09:45 AM PDT - Thu, May 3rd 2012
The units of the eigenvectors of the frequencies (atom displacement vectors) are atomic units. When you have negative frequencies, the displacements and raw step are in the same units as those you used in the geometry input.

Bert




What is the unit of the atoms displacements vectors coordinates in frequency output?


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