Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
What should be the NZVAR value when symmetry is used....?
I just wish to know how should I set the NZVAR value when symmetry is added to input file. Say the total number of atoms with no symmetry constraint are 12, and with symmetry are 3. Then will NZVAR (3N-6) be 30 or 3?
Fri Dec 5 '14 8:09am
This message read 625 times