<div dir="ltr"><div class="gmail_quote"><div dir="ltr">Dear all,<div> 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.</div>
<div><br></div><div><br></div><div>Regards,</div><div>Sandeep </div></div>
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