Is it possible for me to receive the raw data (vasprun.xml) for band structure of mp-294 (UO3)?
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.