nimages

The number of images (or structures) to use in the analysis. This does NOT include the endpoint images (start/end structures). More is better, but computationally expensive. We recommend keeping this value odd in order to ensure there is an image at the midpoint.

yamltomlpython

nimages: 5

nimages = 5

nimages = 5

Danger

For apps such as VASP, your command parameter must use a number of cores that is divisible by nimages. For example, nimages=3 and command="mpirun -n 10 vasp_std > vasp.out" will fail because 10 is not divisible by 3.