Next: 32.10 Point group symmetry Up: 32.9 Optimization control Previous: 32.9.5 Defining several optimizations

32.9.6 Multi-step optimization

A loop over two or more optimization steps may be specified using:

ALTERN,Niter={...}

With this specification the program will repeat the enclosed optimization steps until either all optimizations have converged, or the maximum iteration count, Niter, has been reached.


P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002