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7.1.6 Writing orbital energies

c-----------------------------------------------------------------------
      subroutine write_eig(eig,iset,type)
c-----------------------------------------------------------------------
      implicit double precision (a-h,o-z)
      character*(*) type
      dimension eig(*)
Writes a vector of orbital energies to an active dump record. type (input) is a string describing the orbital type, e.g. NATORB or CANONIAL to which the orbital energies refer. The input variable iset is the set number of the orbital energies. If iset exists, it is overwritten, otherwise a new set is created. if iset.eq.0, a new set is created. iset is not modified, but the actual set number used is stored in variable dump_iset. The RHF orbital energies are stored in set 1, while the UHF $\alpha$ and $\beta$ energies are stored in sets 1 and 2, respectively.

P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Jan 10, 2000