One or more strings (separated by blanks or comma's) from a pre-defined set may be typed after the key. This induces printing of various kinds of information, usually only used for debugging and checking. The set of recognized strings frequently changes (mainly expands) in the course of software-developments. Useful arguments may be symmetry, and fit. A list of all important arguments to this key follows:
Prints the (complex) coefficients in the form (norm, phase factor) of the eigenvectors with respect to the valence basis. Coefficients with a norm smaller than eigthreshold will be skipped. This threshold can be set with the option eigthreshold x, default x=.01.
Prints overlap population of all basis functions.
Prints the labels of the orbitals. If you are interested in the labels of an old calculation and you don't want to repeat it completely, you can add the option StopAfter gemtry to your input file.
Prints the Mulliken population per orbital, for all eigenstates. This is the most detailed population analysis that you can get, one for all k-points and for each band. Populations below a certain threshold are ignored. This threshold can be set with the option popthreshold x. By default x =.01.
Print the information about the distance effects used in the numerical integrals.
Print more details about the fitting procedure, such as the fit coefficients at each SCF cycle.
Print the symmetry operators.
Thresholds
