Next: 12.5 Lattice of point Up: 12 GEOMETRY SPECIFICATION AND Previous: 12.3.1 Visualization of results


12.4 Geometry Files

Using the format

GEOMETRY=file

the geometry definitions are read from file, instead of inline. This file must contain all information of the symmetry block, i.e. symmetry specifications (optional), z-matrix, or xyz-input.



P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000