$MOLGRF group     (relevant only if you have MOLGRAPH)                          
   This option provides an interface for viewing orbitals                       
through a commercial package named MOLGRAPH, from Daikin                        
Industries.  Note that this option uses three disk files                        
which are not defined in the GAMESS execution scripts we                        
provide, since we don't use MOLGRAPH ourselves.  You will                       
need to define files 28, 29, 30, as generic names PRGRID,                       
COGRID, MOGRID, of which the latter is passed to MOLGRAPH.                      
GRID3D = a flag to generate 3D grid data.                                       
         (default is .false.).                                                  
TOTAL  = a flag to generate a total density grid data.                          
         "Total" means the sum of the orbital densities                         
         given by NPLT array.  (default is .false.).                            
MESH   = numbers of grids.  You can use different numbers                       
         for three axes.  (default is MESH(1)=21,21,21).                        
BOUND  = boundary coordinates of a 3D graphical cell.  The                      
         default is that the cell is larger than the                            
         molecular skeleton by 3 bohr in all directions.                        
         E.g., BOUND(1)=xmin,xmax,ymin,ymax,zmin,zmax                           
NPLOTS = number of orbitals to be used to generate 3D grid                      
         data. (default is NPLOTS=1).                                           
NPLT   = orbital IDs.  The default is 1 orbital only, the                       
         HOMO or SOMO.  If the LOCAL option is given in                         
         $CONTRL, localized orbital IDs should be given.                        
         For example, NPLT(1)=n1,n2,n3,...                                      
CHECK  = debug option, printing some of the grid data.                          
If you are interested in graphics, look at the GAMESS web                       
page for information about other graphics packages with                         
GAMESS, particularly MacMolPlt and Avogadro, both are                           
available for all common desktop operating systems.                             

generated on 7/7/2017