zenodoopen
Data for: The role of the exact Hartree-Fock exchange in the investigation of defects in crystalline systems.
<p>Input/Output files for CRYSTAL code of VH1 defects in diamond.</p> <p>File names describe spin states: (d) - doublet, (q) - quadruplet; and XC functional. For PBE functional number states the % of Fock exact exchange.</p>
ShareScore
32/100
Overall dataset sharing score
Score breakdown
These five areas show where the dataset supports — or may limit — practical reuse.
- Stewardship
- 4
- Harmonization
- 4
- Access
- 16
- Reuse readiness
- 8
- Engagement
- 0
Dataset details
- Repository
- zenodo
- Published
- June 5, 2024
- License
- cc-by-4.0
- DOI
- 10.5281/zenodo.11501180
Scored with release 0.9.0
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