Alex Granovsky
gran@classic.chem.msu.su
Kind regards,
Alex Granovsky
On Mon Jun 16 '14 6:59pm, James Mao wrote
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>Anyone knows how to print out the density matrix over MOs in a CI run for Firefly? In GAMESS, it is set by NFLGDM(1)=2. But it seems Firefly just ingore this keyword. Thanks.