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Alex Granovsky
gran@classic.chem.msu.su

what is the format of this file?
What are the differences comparing with the old-style wfn files?

regards,
Alex Granovsky


On Tue Oct 5 '10 4:10pm, Anton Cherkasov wrote
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>Hello all.

>Tell me, please, can I somehow get AIM extended wavefunction file (wfx) directly from Firefly calculation results? Also, can I somehow convert punch or output files from Firefly to Gaussian checkpoint file?

>The only way that I know it's geometry optimization in Firefly with the following single point calculation in Gaussian.

>Thanks in advance for your answers.