Next: 19.4.5 Grid caching (SAVE, Up: 19.4 Numerical integration grid Previous: 19.4.3 Angular integration grid

19.4.4 Atom partitioning of integration grid (VORONOI)

VORONOI,$m_\mu$

Controls Becke-Voronoi partitioning of space. The algorithm of C. W. Murray, N. C. Handy and G. J. Laming, Mol. Phys. 78 (1993) 997 is used, with $m_\mu$ defined by equation (24). The default value is 10.


molpro@molpro.net
Feb 26, 2003