Next: 12.6 Lattice of point Up: 12 GEOMETRY SPECIFICATION AND Previous: 12.4.1 Visualization of results


12.5 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.



molpro@molpro.net
Sep 24, 2008