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Andrew-S-Rosen / QMOF

The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.
MIT License
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EDIFF for 185 structures #27

Closed Andrew-S-Rosen closed 3 years ago

Andrew-S-Rosen commented 3 years ago

For 185 structures, the VASP log files uploaded on Figshare are for EDIFF = 1e-4 rather than 1e-6. The corrected files will be uploaded in v9 of the QMOF Database.

Andrew-S-Rosen commented 3 years ago

Corrected in v9, to be uploaded tomorrow.