$EXCORR group             (compatible with CITYP=ORMAS)
 
   This group prepares input data used to run the universal
perturbative explicitly correlated basis set completeness
correction (PT2R12).  This sequence starts with a GAMESS
multireference CI calculation, using ORMAS, and then passes
information (basis set, orbitals, density matrix) to the
Massively Parallel Quantum Chemistry (MPQC) program.  The
latter program's calculation uses R-12 methods to minimize
basis set incompleteness errors.
 
PT2R12  =  PT2R12 basis set incompleteness correction.
           Selecting this flag generates ASCII data files
           that serve as MPQC's input.
           (DEFAULT = .false.)
 
NFRZC   =  number of frozen core orbitals in the PT2R12
           basis set incompleteness correction.
           (DEFAULT = NCORE from $CIDET)
 
NINACT  =  number of inactive orbitals in the PT2R12 basis
           set incompleteness correction. (DEFAULT = 0)
 
NCORR   =  number of orbitals to be explicitly correlated.
           (DEFAULT = NINACT + NACT from $EXCORR)
 
NFRZV   =  number of frozen valence orbitals in the PT2R12
           basis set incompleteness correction.
           (DEFAULT = 0)
 
PUNTOL  =  printing tolerance for the second order reduced
           density matrix (DEFAULT = 1.00E-11)
 
 
The following are used specifically for the MPQC interface
to GAMESS.
 
DFBS    =  use density fitting for integral evaluation
           Note: recomputed reference energy will be
           slightly different.  (DEFAULT = .false.)
 
 
RUNR12  = compute [2]_R12 correction with MPQC interface.
          (DEFAULT = .false.)
 
SINGLS  = compute [2]_S correction with MPQC interface.
          (DEFAULT = .false.)
 
F12EXP  = f12 exponent. (default=1.0D+00)
 
NTHRDS  = number of threads that are spawned during the
          [2]_R12 and/or [2]_S computation. (DEFAULT = 1)
 
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Edited by Shiro KOSEKI on Thu Mar 5 10:25:38 2020.