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 ]