Optimization trajectory Plot

For the optimization, one may not only care about the structural evolution (which can be visualized here), but also the energy/force change with the optimization steps, which can also be analyzed by GVasp.

A simple code need to be typed for this work:

gvasp plot opt -j plot.json --save

then, one may obtain the figure.svg which plot the energy and force change with the steps increment.

Just like this,

The only parameter in plot.json is height, certainly it is optional.

{
    "height":7
}

Attention

The json file is required, even if is empty, touch it.

Note

--show or --save should specify one, and only need to one, otherwise nothing happen.