GRID_IT is an interface program for calculations of molecular orbitals and density in a set of cartesian grid points. Calculated grid can be visualized by separate program (module MOVIE from C2MOLCAS interface) in the form of isosurfaces or slides. GRID_IT requires the one-electron integral file ONEINT, the communication file COMFILE, processed by SEWARD and any formated INPORB file: SCFORB, RASORB, PT2ORB, generated by program SCF, RASREAD, or CASPT2, respectively. The output file M2MSI is created containing the graphical information.
An input example for GRID_IT is:
&GRID_IT &END Title Water Dense Orbital 2 2 1 4 1 End of input
which will plot two orbitals, the first orbital of symmetries 2 and 4. Keyword REGIon can be used to select orbitals using occupation criteria.