Hello,

we have trouble in giving electron numbers to irreps containing a '*'.
here is the input

title praseodym core.4d, spin-orbit, Pauli_H
  
  DIRECTSCF
  
  allow badscf

 symmetry C(S)
  
  atoms
  Pr 0.0000 0.0000 0.00
  end
  
  restricted
  
  CHARGE 0

  RELATIVISTIC spinorbit pauli frozen
  
  COREPOTENTIAL /usr/people/...

  fragments
  Pr /usr/people/...
  end
  
  integration 1.0
  
  SCF
  convergence 0.000001
  mixing 0.04
  iterations 1
  END

occupation
A1/2 1 1 1 1 1 0.75 0.75
A1/2* 1 1 1 1 1 0.75 0.75
end

endinput
  EOF

-----------------

the problem is our impossibility to give a fractional occup. to the
A1/2* irrep.

(with the input given above the * is apparently skipped, and ADF says
the A1/2 irrep is given twice)

we tried things like ', ", \... unsuccesfully.

has anyone solved the problem?

-- 
Henry Chermette
Chimie Physique Theorique, bat 210,
UNIVERSITE CLAUDE BERNARD DE LYON
(et Inst. Recherches sur la Catalyse)
43 bd du 11 novembre 1918
F-69622 VILLEURBANNE Cedex
Tel [+33](0)4 72 44 84 27
Fax [+33](0)4 72 44 80 04
e-mail cherm_at_catalyse.univ-lyon1.fr
e-mail cherm_at_in2p3.fr