CISTATE=n
			

Description

Specifies the number of final CI eigenstates to be calculated and printed. The minimum number is at least n, from ROOT=n (default 1). However, there is only one primary CI eigenstate which is followed during geometry changes, such as in optimizations. Transition wavelengths, transition dipoles and oscillator strengths between the primary CI eigenstate and the other n - 1 CI eigenstates will be calculated and printed. Microstate contributions and possibly Mulliken atomic charges and dipoles (if CIDIP is specified) will be calculated and printed for all n CI eigenstates.

See Chapter 11, Configuration Interaction for a more complete discussion of Ampac’s CI capability.

See also:

C.I., CIDIP, ROOT.