Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Potential energy surface scan using Cartesian coordinates
Patrick SK Pang
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.
Fri Jan 2 '15 1:12pm
This message read 397 times