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Keyword TOPOLOGY

This keyword controls parameters for the Bader population analysis; see Section (4.9.1).
Options:
MEDIUM / COARSE / FINE / REFERENCE
MEDIUM Fixed, medium-grid accuracy is specified for the Bader analysis. This is the default.
COARSE Fixed coarse-grid accuracy is specified for the Bader analysis.
FINE Fixed fine-grid accuracy is specified for the Bader analysis.
REFERENCE A reference grid accuracy is specified for the Bader analysis.
MAX=<Integer> Maximum number of iterations for the search for a critical point. The default is 2000.
Description:
If this keyword is given, a Bader population analysis is performed. For more information about the meaning of the different grids, see keyword GRID (4.2.2).


next up previous contents
Next: Keyword PLOT Up: Visualization and Topological Analysis Previous: Keyword VISUALIZATION   Contents
speedy(at)cinvestav.mx 17.11.2011