Charge Analysis after Car-Parrinello
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1:18:00 PM PDT - Mon, Aug 13th 2012
I'm trying to determine the atomic charges after a Car-Parrinello simulation of an ionic liquid. I believe I can determine this from the omotion file, but I'm unsure of the file format. Does anyone know the format of an omotion file generated from a Mulliken Analysis after CP simulation?


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