Suggestion

[billcsu]

1. It would be beneficial to have the capability to monitor real-time calculation progress of files in the directory through calc.force.plot() or calc.energy.plot(). Presently, we are only able to plot completed h5 files, and not those still undergoing calculation. Furthermore, it is currently not possible to generate a scatter plot for convergence tracking of residual stress of force; only the force vector of the final structure can be plotted.

2. The current version appears unable to generate a diagram depicting the final optimized structure, and lacks an interface for drawing the CONTCAR diagram. (ver. 0.7.3)

Tks.!