My Community

Dear VASP users,

Each time you run machine learning calculations, the initializations are executed, which is time-consuming, especially if you only want to predict the energy of many known structures. Is there a way to predict the energy of these known structures with a single initialization?
Thank you for your attention!

Best,
Jing

Dear Jing Huang,

Currently it is not possible to run was in an interactive mode as you are describing. This might be possible in a future release.

All the best Jonathan