Program GetIRep

Get the matrix representation of the various IRs for the point group of this molecule.

Input data records

  1. iuin, iumatrep
  2. iprngf
  3. rtype
  4. Input of compute format which includes the character table and symmetry operations
  5. nabop, (iabop(j), j = 1, nabop)

Definition of the input variables

iuin
unit with the b_(lm)s for the point group. This is the output from symgen.
iumatrep
unit for output of the matrix representations of the IRs of the point group.
iprnfg
Print flag, =0 for minimal output, > 0 for more output
rtype
is the representation type which can have the following values:
'real'
look for b_(lm) matrix which is only real
'complex'
look for b_(lm) matrix which is complex valued
nabop
number of symmetry operations in the abelian subgroup (excluding E).
iabop(i)
list of which of the symmetry operations of the full point group belong to the abelian subgroup, excluding the idenity element E.