From NWChem
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11:06:30 AM PDT - Mon, Mar 21st 2011 |
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Dear NWchem comminity,
I wonder if there is a way to import Hessian matrix from other programs? It would be useful, for example, in location of the transition states by Driver, when numerical DFT hessians are too costly to do by NWchem itself.
Could you please advice, how to do this? Thank you very much!
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With best regards,
Grigory Shamov
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