From: Adam T. <a-t...@st...> - 2008-07-22 18:17:52
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What are the differences between normal modes and cartesian displacement vectors? I think Gaussian uses the latter, while ADF and ORCA use the former. ADF doesn't use mass-weighted normal modes while ORCA does use mass-weighted NMs. Do we need to change the way our parsers are thinking about vibdisps? Adam |