JARVIS-DFT Latest 3D Dataset issues

usnistgov / jarvis

JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ https://www.youtube.com/watch?v=2-XHeC8gbeY

https://pages.nist.gov/jarvis/

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JARVIS-DFT Latest 3D Dataset issues #160

Open knc6 opened 3 years ago

knc6 commented 3 years ago

Ehull available for a lot less data than before
Max IR mode available on much smaller range than before
Add an automatic dataset sanity checker (Max-Min val shouldn't change, average shouldn't change much (tol = 10%), number of datapoints (shouldn't decrease)