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AIM extended wavefunction file or Gaussian checkpoint file

Anton Cherkasov
ach@iomc.ras.ru


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.

[ This message was edited on Tue Oct 5 '10 at 4:10pm by the author ]


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