Community: CASM
CASM
A community for CASM projects and data
A community for CASM projects and data. This community is initially open for anyone to add CASM datasets. As we learn, we will evolve the practices of the community and may add more active curation datasets. For suggestions and questions please contact the CASM developers at casm-developers@lists.engr.ucsb.edu. In addition to adding your CASM dataset to this community, we suggest using the following tags: ---- Specify that it is a CASM dataset, optionally with version: CASM, CASM-v0.3, CASM-v1.0 ---- Include elemental or molecular composition: Mg, Zr, O, Ni, etc. ---- Types of degrees of freedom (DoF), using CASM prim DoF type names: ---- ---- For occupation: occ ---- ---- Site degrees of freedom: disp, etc. ---- ---- Global degrees of freedom: strain, GLstrain, Hstrain, etc. ---- If the dataset contains: ---- ---- DFT calculations: DFT ---- ---- A fit cluster expansion: clusterexpansion ---- ---- Monte Carlo calculation results: montecarlo
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| Name | Views | Downloads | Published | Summary | Authors |
|---|---|---|---|---|---|
| CASM Test Project Files | 1218 | 357 | 2019-09-20 | Brian Puchala | |
| First Principle calculations of rocksalt-TiO lattice with vacancies | 998 | 353 | 2018-02-15 | Naga Sri Harsha Gunda | |
| First Principle calculations of hcp-O with Ti interstitials | 994 | 351 | 2018-02-15 | Naga Sri Harsha Gunda | |
| First Principle calculations of omega-Ti with O interstitals at midpoint | 952 | 356 | 2018-02-15 | Naga Sri Harsha Gunda | |
| First Principle calculations of omega-Ti with O interstitals | 998 | 358 | 2018-02-15 | Naga Sri Harsha Gunda | |
| First Principle calculations of hcp-Ti with O interstitials | 976 | 333 | 2018-02-15 | Naga Sri Harsha Gunda |