A bugfix update to VNL-ATK 2016 has been released (version 2016.4).
In order to make plots more consistent when dealing with atoms outside the unit cell, a new wrapping algorithm was implemented in ATK 2016.3. Unfortunately, this method is incompatible with calculations performed with older versions of ATK. That means, that if you "nlread" the calculation from an older NC file (ran with 2016.2 or older) and compute e.g. the ElectrostaticDifferencePotential, the plot will appear to be incorrect. To avoid this, ATK 2016.4 will check if the calculation is old, and refuse to compute the grid data. The only way to work around this is to either rerun the calculation in ATK 2016.4, or use 2016.2 to compute the grid data. If you used 2016.3 for the calculation, you can safely use 2016.4 for post-processing. If, however, you use ATK 2016.3 for post-processing of files from 2016.2 or older, the data will be wrong (or appear to be, when plotted).
Improvements and additions