This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- README.txt: Contains metadata and file lists for tarballs
- PBE_VASP_equilibrium.tar.gz: PBE equilibrium solid data, in VASP
- PBE_VASP_strains.tar.gz: PBE data as a function of unit cell volume, in VASP
- PBE_Castep_strains.tar.gz: PBE data as a function of unit cell volume, in Castep
- LSDA_VASP_equilibrium.tar.gz: LSDA equilibrium solid data, in VASP
- LSDA_VASP_strains.tar.gz: LSDA data as a function of unit cell volume, in VASP
- hdf5_reader.py: Sample HDF5 file reader that prints all group identifiers (keys) and a list of subgroup data and their attributes. Also includes an example of how the CFR volume would be calculated using this data.