Next: 13.7 Redefining and printing Up: 13 GEOMETRY SPECIFICATION AND Previous: 13.5 Geometry Files

13.6 Lattice of point charges

LAT,$x,y,z,q$;

Immediately following the Z-matrix specification may appear one or more ``LAT'' cards, defining a lattice of point charges. $x,
y, z$ are the cartesian coordinates and $q$ the charge of the point. Note that internal coordinates may not be used, and that only the symmetry unique lattice points should be defined.



molpro@molpro.net
Feb 26, 2003