SYSMOIC

4 Induced Current Density Programs

IC programs can be used to compute the current density and related properties. Before using them, the FORTRAN files fort.3, fort.11, fort.23, and fort.28 should be generated. Depending on which type of route has been adopted for the magnetic perturbed calculation, see previous sections, the FORTRAN files can be generated using the command

prompt> tar -zxf sysmo-file.tgz     (or prompt> unpack sysmo-fsy-file)

or

prompt> unpackwfx gaussian-file[.wfx]  (.wfx should not be typed)

Examples in the following are given for benzene, planar-COT, and borazine at the B3LYP/6-31G(d) level. The full set of examples here reported plus those in the reference paper can be found here.