MAP
Active the BVS Maps procedure. The setence is
MAP nx ny nz AtomName Dmax
where
NX NY NZ |
Grid points for BVS map |
AtomName |
Is the representative point on the Map. It could be an atom from structure. In this case, the atom was not included in the BVS calculations |
Dmax |
is the maximum distance to search BVS contributions |
Example:
! Bond Valence Map Calculations
Map 32 32 64 Ca1 4.0
FullProf Suite 2010