[molpro-user] normal mode coordinates
Terry Frankcombe
tjf at rsc.anu.edu.au
Thu Nov 25 23:41:58 GMT 2010
> certainly this is just a different normalization of the normal mode
> vectors.
Eryin
Depending on what you are doing with these normal modes, it may be
important to note that different normalisation implies a different set
of force constants and reduced masses.
Ciao
Terry
--
Dr. Terry Frankcombe
Research School of Chemistry, Australian National University
Ph: (+61) 0417 163 509 Skype: terry.frankcombe
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