$GUGDM group                 (relevant for GUGA -CI-)                           
     This group provides further control over formation of                      
the one electron density matrix.  See NSTATE in $GUGDIA.                        
NFLGDM = Array controlling each state's density formation.                      
         0 -> do not form density for this state.                               
         1 -> form density and natural orbitals for this                        
              state, print and punch occ.nums. and NOs.                         
         2 -> same as 1, plus print density over MOs.                           
         The default is NFLGDM(1)=1,0,0,...,0 meaning                           
         only ground state NOs are generated.                                   
Note that forming the 1-particle density for a state is                         
negligible compared to diagonalization time for that state.                     
IROOT  = The root whose density matrix is saved on desk for                     
         later computation of properties.  You may save                         
         only one state's density per run.  By default,                         
         this is the ground state (default=1).                                  
WSTATE = An array of up to 100 weights to be given to the                       
         1 body density of each state. The averaged density                     
         will be used for property computations, as well as                     
         "state averaged natural orbitals".  The default is                     
         to use NFLGDM/IROOT, unless WSTATE is given, when                      
         NFLGDM/IROOT are ignored.                                              
         It is not physically reasonable to average over                        
         any CI states that are not degenerate, but it                          
         may be useful to use WSTATE to produce a totally                       
         symmetric density when the states are degenerate.                      
IBLOCK = Density blocking switch. If nonzero, the off                           
         diagonal block of the density above row IBLOCK                         
         will be set to zero before the (now approximate)                       
         natural orbitals are found.  One use for this is                       
         to keep the internal and external orbitals in a                        
         FOCI or SOCI calculation from mixing, where IBLOCK                     
         is the highest internal orbital.  (default=0)                          
NWORD  = Number of words of memory to use.  Zero means use                      
         all available memory (default=0).                                      

generated on 7/7/2017