This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.

• README.txt: This README.txt file contains the detailed descriptions of the contents in the metadata.
• Metadata.tar.gz: This archive contains the input and output files for the following calculations: 1) vc_relax, 2) first_scfu, 3) hp, and 4) final_scf_all. The calculation details can be found in the README.txt and the included Supplementary Information.