zenodoopen
Pressure-induced amorphisation and a new high density amorphous metallic phase in matrix-free Ge nanoparticles: simulation data
<p>The folder contains:</p> <p>-Pseudopotential files for Ge and H in the .recpot format used in all calculations.</p> <p>-Input and output files for constant enthalpy geometry relaxations of hydrogenated Ge nanocrystals using the electronic enthalpy method within ONETEP (version 3.3).</p> <p>-Input and output files for the DFPT calculations performed with CASTEP (version 6.01).</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
- October 13, 2015
- License
- cc-zero
- DOI
- 10.5281/zenodo.32081
Scored with release 0.9.0
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