Quote:Inaki Aug 2nd 4:15 pmHi everyone
I would like to know how to interpretate the results of a Fukui calculation. At the end of the file 7 tables are output.
According to SP-DFT approach 8 potential changes are possible (spin polarization and electron transfer respectively).
Does anyone know which table is referred to what?
Thank you very much in advance
Inaki
FYI:
Apparently I made a typo in the following command:
print " Fukui information"
and the reason why all the legends and header info related to fukui subject were missing!
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