BVS Mapping

A python script to build a 3D bond valence sum map of a crystal structure.

Authors of Code

Matthew Dyer

If you have any questions, bug reports or suggestions for modifications please email Matthew Dyer using My email address


Archived packages of version 0.4 of the python script, an installation script and an example script can be downloaded using the following links:

Download a tar.gz package

Download a zip package

Download the script by right-clicking on the Download link above and selecting "Save Link As" from the menu.

Version 0.4 - 18 April 2017 - Source was made compatible with later versions of ase.

Version 0.3 - This may be useful for people with older versions of ase (e.g. the default installed version in Ubuntu. It can be downloaded here as a tar.gz package or a zip package. is distributed under the terms of the GNU General Public Licence. The full licence can be downloaded here or found at


First extract the files from the package you downloaded.

You can then install the package into your python distribution using
python install
from within the directory holding the extracted files. (Note, you may need to be the superuser / administrator to do this)


As a python script, you must have a working version of python installed on your machine to run In addition the script depends on the following python modules and packages:


A long list of parameters for the calculation of bond valence sums can be downloaded here. This file was originally provided by VESTA.

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