Fwd: Vibrational analysis - eigen vectors

Sandeep Kumar Reddy kuma... at gmail.com
Tue Jul 15 08:09:49 UTC 2014

Dear all,
               I would like to project atomic velocities on eigen vectors.
I expect the eigen vectors calculated from the mass-weighted hessian matrix
should be orthogonal. But, from the output of cp2k, the eigen vectors do
not satisfy orthogonality condition. Could somebody help me to understand
this? Thanks.

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