$GUGDM2 group     (relevant for GUGA -CI- or -MCSCF-)                           
     This group provides control over formation of the                          
2-particle density matrix.                                                      
WSTATE = An array of up to 100 weights to be given to the                       
         2 body density of each state in forming the DM2.                       
         The default is to optimize a pure ground state.                        
         A small amount of the ground state can help the                        
         convergence of excited states greatly.                                 
         Gradient runs are possible only with pure states.                      
IROOT  = the MCSCF state whose energy will be used as the                       
         desired value.  The default means to use the                           
         average (according to WSTATE) of all states as                         
         the FINAL energy, which of course is not a                             
         physically meaningful quantity.  This is mostly                        
         useful for the numerical gradient of a specific                        
         state obtained with state averaged orbitals.                           
         Be sure to set NSTATE in $GUGDIA appropriately!                        
CUTOFF = Cutoff criterion for the 2nd-order density.                            
         (default = 1.0E-9)                                                     
NWORD  = Number of words of fast memory to use in sorting                       
         the DM2.  The default uses all available memory.                       
NOMEM  = 0 uses in memory sort, if possible.                                    
       = 1 forces out of memory sort.                                           
NDAR   = Number of direct access records. (default=4000)                        
LDAR   = Length of direct access record (site dependent)                        
NBOXMX = Maximum no. of boxes in the sort. (default=200)                        

generated on 7/7/2017