This file is automatically generated. It contains the descriptions of each uploaded file as provided by the user.
- vasp_input.zip: VASP input files (INCAR and KPOINTS)
- vasp_structure.zip: Atomic structures of TiH2 with partially occupied hydrogen atoms in VASP structural format (*.vasp)
- vasp_output.zip: Calculated total energy (eV)
- phonopy_11T1O_00098.zip: Phonopy input and output files for 11T1O structure
- phonopy_12T_0032.zip: Phonopy input and output files for 12T structure
- README.txt: General information of the data set
- supercell_input_11T1O.cif: Supercell input for 11T1O structure
- supercell_input_12T.cif: Supercell input for 12T structure