I use the pymagent.core.structure.interpolate() very often these days instead of the nebmake.pl in VTST tool to construct NEB images by interpolating initial and final structures,
According to the API Docs, the parameter ‘nimages’ for the interpolate() sets the number of interpolation images.
However, interpolate() returns a total of (nimages - 1) interpolated structures except for initial and final structures.
I’d like to politely suggest that the interpolate() code be modified to return “nimages interpolated structure”, i.e., (nimages + 2) structures including starting and ending structures as the first and last structures, respectively.
In my opinion, this seems to be more consistent with the IMAGE flag used in VASP or VTST tool.