Alex Granovsky
gran@classic.chem.msu.su
yes this is possible. See the following link:
http://classic.chem.msu.su/gran/gamess/scan.html
as well as Firefly's manual.
Kind regards,
Alex Granovsky
On Fri Jan 2 '15 1:12pm, Patrick SK Pang wrote
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>Can Firefly program carry out the potential energy surface scan using Cartesian coordinates? If so, how can I construct the input file? The reason why Cartesian coordinates are required is that I need to calculate molecules under electric field.