Posted by Valera on September 21, 2006 at 16:44:31:
In Reply to: OccNumbers UHF posted by Rosie Coates on September 07, 2006 at 18:19:37:
the syntax for OCCU keyword (in UHF case):
&SCF &END
UHF
Occupied
5 ! occupation for alpha orbitals (sym1, sym2, ..)
2 ! same for beta
End of input