Note

This website is presently under development. The primary website for MOPAC is still http://openmopac.net until the majority of its contents have been migrated here.

GRAPH

Information needed to generate electron density contour maps can be written to an unformatted file, <name>.gpt, by using the keyword GRAPH. GRAPH first calls MULLIK in order to generate the inverse-square-root of the overlap matrix, which is required for the re-normalization of the eigenvectors. All data essential for the graphics package DENSITY are then output.