Author Topic: Multidimensional PES Scan  (Read 3968 times)

sprkm

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Multidimensional PES Scan
« on: December 15, 2010, 05:03:26 pm »
Is it possible to run a multidimensional PES scan using TmoleX?  I am currently using the Client V3.01 and it seems to generate all of the necessary input files but all of the optimizations fail before any steps are complete.  Is there something I am doing wrong or is this simply not supported?

Thanks!

sprkm

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Re: Multidimensional PES Scan
« Reply #1 on: December 15, 2010, 10:08:03 pm »
I take some of that back.  The dscf step does complete but the statpt point does not.