Optimized structure(s)

[Fahdzi Muttaqien]

Dear Dr. Nongnuch Artrith,

Hello all Aenet forum discussion members,

I hope this email finds you well.

I am just starting to use Aenet within one month and have enjoyed using it.

I am trying to catch up with the Aenet reference publications.

At present, I am following the example steps that you shared in the Aenet webpage.

So far, I have already reached the train step.
However, I am a bit confused while entering the predict step.

Could we obtain the optimized structure after executing the predict step?

Currently, I only obtain the total energy results.

If you don't mind,  may I know how to get the optimized structure when

we have new input structure(s) for the predict step?
I am sorry if my question is redundant in this forum.

Thank you.

--

Sincerely,

Fahdzi Muttaqien

Instrumentation and Computational Physics Research Group,
Faculty of Mathematics and Natural Sciences,
Institut Teknologi Bandung

Jalan Ganesa 10, Bandung 40132, Jawa Barat, Indonesia