$GUGDIA group     (relevant for GUGA -CI- or -MCSCF-)
 
     This group provides control over the Davidson method
diagonalization step.
 
NSTATE = Number of CI states to be found, including the
         ground state. (default=1, ground state only.)
         You can solve for any number of states, but only
         100 can be saved for subsequent sections, such
         as state averaging.  See IROOT in $GUGDM/$GUGDM2.
 
PRTTOL = Printout tolerance for CI coefficients
         (default = 0.05)
 
MXXPAN = Maximum no. of expansion basis vectors used
         before the expansion basis is truncated.
         (default=30)
 
ITERMX = Maximum number of iterations (default=50)
 
CVGTOL = Convergence criterion for Davidson eigenvector
         routine.  This value is proportional to the
         accuracy of the coefficients of the eigenvector(s)
         found.  The energy accuracy is proportional to
         its square.  (default=1.0d-5, but 1E-6 if
         gradients, MPLEVL, CITYP, or FMO selected).
 
NWORD  = Number of words of fast memory to use in this
         step.  A value of zero results in the use of all
         available memory.  (default = 0)
 
MAXHAM = specifies dimension of Hamiltonian to try to
         store in memory.  The default is to use all
         remaining memory to store this matrix in memory,
         if it fits, to reduce disk I/O to a minimum.
 
MAXDIA = maximum dimension of Hamiltonian to send to an
         incore diagonalization.  If the number of CSFs
         is bigger than MAXDIA, an iterative Davidson
         procedure is invoked.  Default=100
 
NIMPRV = Maximum no. of eigenvectors to be improved every
         iteration. (default = nstate)
 
NSELCT = Determines initial guess to eigenvectors.
         = 0 ->  Unit vectors corresponding to the NSTATE
                 lowest diagonal elements and any diagonal
                 elements within SELTHR of them. (default)
         < 0 ->  First abs(NSELCT) unit vectors.
         > 0 ->  use NSELCT unit vectors corresponding to
                  the NSELCT lowest diagonal elements.
 
SELTHR = Guess selection threshold when NSELCT=0.
         (default=0.01)
 
NEXTRA = Number of extra expansion basis vectors to be
         included on the first iteration.  NEXTRA is
         decremented by one each iteration.  This may be
         useful in "capturing" vectors for higher states.
         (default=5)
         On AXP processors, enter as 0 to avoid core dumps.
 
KPRINT = Print flag bit vector used when
         NPFLG(4)=1 in $CIINP.       (default=8)
         value  1 bit 0 print final eigenvalues
         value  2 bit 1 print final tolerances
         value  4 bit 2 print eigenvalues and tolerances
                        at each truncation
         value  8 bit 3 print eigenvalues every iteration
         value 16 bit 4 print tolerances every iteration
 
Inputs for a multireference Davidson correction, in case
the orbitals are from a MCSCF.
 
NREF   = number of CSFs in the MCSCF (full CI) job.
 
EREF   = the energy of the MCSCF reference.
 
 
79 lines are written.
Edited by Shiro KOSEKI on Tue May 17 15:19:38 2022.