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Manage DFT training data and making JSON data set

Open Rana-Phy opened this issue 3 years ago • 0 comments

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.

Rana-Phy avatar Apr 28 '21 11:04 Rana-Phy