PC GAMESS/Firefly-related discussion club
Learn how to ask questions correctly
Re^3: unexpected energy curve from rsurface.
sanya
sanya@photonics.ru
I'm afraid, Cs in $DATA group will force GAMESS to place 2 Ni atoms on both sides of urea plane. Can you attach your output?
Thu Oct 22 '09 1:01pm
This message read 940 times