wfn

This option controls the details of wave function analysis.

file

Value	File name
Default	None

The file name of the wave function to be analyzed (in MWFN format).

loc_max_it

Value	An integer
Default	500

The maximum number of steps for orbital localization.

loc_cov

Value	A real number
Default	1.E-6

The convergence threshold for orbital localization.

print_MO_details

When this keyword is presented, much more information will be output for orbital component analysis.