Is it possible for me to receive the raw data (vasprun.xml) for band structure of mp-294 (UO3)?
Hi Shailesh,
sorry for the delayed response.
Your timing for this question is great We’re in the progress of rolling out a feature that enables MP users to download the raw calculation files for all our blessed tasks from the NOMAD Repository. Find a small preview video here. We’ve also implemented a convenience function in pymatgen’s MPRester to retrieve a list of download URLs. For
mp-294
, for instance, it allows you to generate the following URL which will download a 200MB zip archive containing all vasprun.xml
files for all of mp-294
's blessed tasks.
best,
Patrick
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