
                 T M T A D 

      TMATAD augments T-matrices obtained from the standard R-matrix package
      with elements obtained using another model (currently the only option
      is the Born approximation.  It can also generate complete T-matrices
      in a format suitable for input to other OUTER modules.

      Input files:
        Channel and target data          (on units LUCHNI)
        T-matrices                       (on units LUTMTI)

      Output files:
        Channel and target data          (on unit LUCHNO)
        T-matrices                       (on unit LUTMTO)


      The following PARAMETERs are used to define array dimensions

      MAXERN = 10  maximum number of energy subranges (defined in RSOLVE)
      MAXCH =1000  maximum number of scattering channels per symmetry
      MAXTGT = 10  maximum number of target vibronic states
      MAXSYM =100  maximum number of overall symmetries                   

      The data describing the run is input via namelist /ADDTIN/.

      Namelist input /ADDTIN/

        The format of the following is 
       (Name, Type, Dimension, Default, Limits, ! description)
        Unless specified otherwise, the default value applies to all elements
        of array variables.
        

        EINC     R   2*MAXENR   0.    [:]
           ! Scattering energies relative to lowest (vibrational)
                 level of target 
                 EINC(1,I) = initial energy in sub range I
                 EINC(2,I) = energy increment in this subrange
                 units are as specified by IEUNIT

        ESHIFT   R   MAXTGT     0.
           ! Shifts to be applied to energies on target properties file

        GUTOT    I   1          0     [-1:1]     
           ! G/U symmetry of total system

        ICFORM   C   1         'U'   ['U'|'F']
           ! format flag for channel datasets, 'F' for formatted, 'U' for
             unformatted

        IDTARG   I   MAXTGT           [1:]
           ! array which specifies which NTARG target states are to
             be selected from the properties file on unit LUTARG.  The
             values of IDTARG correspond to the state labels on this file.

        IEUNIT   I   1          1    [1,2]  
           ! units in which input scattering energies are input
                 1= Ryd, 2= eV

        IPRNT    I   6          0    [0|1]
           ! Debug print switches :
             In each case -1 gives less than the default output and +1
             more than the default
                 (1) =1 Print input target data
                 (2) =1 Print input T-matrices
                 (3) =1 Print channel dipole coefficients
                 (4)  not used
                 (5) =1 Print output channel data
                 (6) =1 Print output T-matrices

        ISGN     I   1          1    (-1|+1)
           ! +/- symmetry for overall Sigma symmetry

        ITFORM   C   1         'U'   ['U'|'F']
           ! Formatted/unformatted switch for T-matrix files

        IWRITE   I   1          6    [1:]        
           ! logical unit for printed output

        LUCHNI   I   MAXSYM    10    [1:]        
           ! logical units for input channel and target datasets, if zero
             then the entire T-matrix is generated for this symmetry

        LUCHNO   I   1         10    [1:]        
           ! logical unit for output channel and target datasets.

        LUTARG   I   1         24    [1:]
           ! logical unit holding input target data

        LUTMTI   I   MAXSYM    11    [1:]
           ! logical units holding input T-matrices, if zero
             then the entire T-matrix is generated for this symmetry


        LUTMTO   I   1         12    [1:]
           ! logical unit holding output T-matrices

        MAXI     I   1          1    [1:NTARG]
           ! label of highest initial state for which cross-
             sections will be required.  In order to save space, only a
             subset of the entire T-matrix will in general be saved at
             each scattreing energy.  NTARG in this context counts both 
             electronic and vibrational states.

        MAXF      I   1         NTARG [1:NTARG]
           ! label of highest final state for which cross-sections
             will be required (here NTARG counts both electronic and
             vibrational states)

        MAXL      I   1          0    [0:]
           ! maximum l-value for which additional T-matrix elements are
             to be generated

        MGVN     I   1               [0:]
           ! total symmetry of system

        NAME      C   60                          
           ! title for any output

        NCSETI    I   MAXSYM          1    [1:]        
           ! set numbers of required input channel datasets.

        NCSETO    I   1          1    [1:]        
           ! initial set number of output channel datasets, if zero then
             data is appended to the end of an existing file.

        NELT     I   1               [1:]
           ! number of target electrons

        NERANG    I   1          1    [1:MAXENR]
           ! Number of subranges of scattering energies

        NESCAT    I   NERANG     1    [1:]
           ! number of input scattering energies in each subrange

        NSYM      I   1          1    [1:MAXSYM]
           ! Number of symmetries for which T-matrices are required

        NTARG     I   1          1    [1:]
           ! number of target electronic states

        NTGSET    I   1          1    [0:]
           ! Target data set number

        NTSETI    I   1          1    [0:]
           ! Set number for input T-matrices 

        NTSETO    I   1          1    [0:]
           ! Set number for output T-matrices 

        R         R   NGEOM           [0.:]        
           ! internuclear separations

        STOT      I   1               [1:]        
           ! spin multiplicity of total system
