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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
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