ICAR Research Data Repository for Knowledge Management
Quasi harmonic approximation (QHA) for Gibbs free energy benchmarks
Harvard Dataverse (Africa Rice Center, Bioversity International, CCAFS, CIAT, IFPRI, IRRI and WorldFish)
View Archive Info| Field | Value | |
| Title |
Quasi harmonic approximation (QHA) for Gibbs free energy benchmarks
|
|
| Identifier |
https://doi.org/10.7910/DVN/EOOPKN
|
|
| Creator |
Fan, Jiaxin
|
|
| Publisher |
Harvard Dataverse
|
|
| Description |
Gibbs free energy calculations of inorganic materials from Materials Project. Data are calculated by VASP and phonopy.
|
|
| Subject |
Chemistry
Physics |
|
| Contributor |
Fan, Jiaxin
|
|