Skip to content
This repository has been archived by the owner on Mar 23, 2022. It is now read-only.

Manage DFT training data and making JSON data set #4

Open
Rana-Phy opened this issue Apr 28, 2021 · 0 comments
Open

Manage DFT training data and making JSON data set #4

Rana-Phy opened this issue Apr 28, 2021 · 0 comments

Comments

@Rana-Phy
Copy link

Dear Developers,

Greetings. Last night I watched a demo here, https://www.youtube.com/watch?v=GiebtsjYfgs
This is interesting. I have a very basic query.
Would you kindly help me to know how to extract data from OUTCAR/vasprun.xml file and write a dict contains one structure with data. For multiple structures how can I merge them in a single json file. If you share any script/tool that will be very helpful.
I will wait to hear from you.

Thanks.

Sign up for free to subscribe to this conversation on GitHub. Already have an account? Sign in.
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant