Capability details
What this helps you do
Compute harmonic and quasi-harmonic phonon properties from crystal structures and forces.
Catalog editorial description
View description sources
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Research classification
Materials engineering
View discipline evidence
editor · 2026-09-19 — Core research task classification from pinned primary documentation. 2.5 材料工程：依据固定上游用途及所列官方补充材料作出的策展判断。项目和核心工具均限于上述用途，跨领域框架不强制收窄。
Who it is for
An intended audience has not been supplied. Check the original documentation for suitability and prerequisites.
How to use it
Follow upstream guidance and source conditions.
AIPOCH has not verified execution.
Read usage documentationInputs
- 晶体结构、力
Outputs
- 谐振或准谐声子谱、DOS和热力学量
Resource type
Tool
Access conditions
- 现行BSD-3-Clause
- 旧版GPL或LGPL区别；外部DFT独立；v4接口变更
- Community indexing of core software only. External components, models, datasets and services have separate terms. Installation, scientific accuracy and suitability were not validated.
View usage information sources
Inputs
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Outputs
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Access conditions
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Documentation
editor · 2026-09-19 — Catalog classification and summary; not maintainer acknowledgement.
Sources & versions
- Reference role
- implementation
- Last successful public check
- 2026-09-22T08:38:57.583Z
- Latest public check attempt
- 2026-09-22T08:38:57.583Z · ok
- GitHub metrics
- Stars 498 · checked · latest attempt 2026-09-22T08:38:57.583Z (ok)
Forks 261 · checked · latest attempt 2026-09-22T08:38:57.583Z (ok) - Latest default-branch commit
- Unknown
- Source activity check
- missing · last successful check unknown · latest attempt 2026-09-22T08:38:57.583Z (unavailable)
- Source status
- Active at last observation
- License
- BSD-3-Clause
- Fixed commit
a01db0432c5ff98a658a2b118653bfb575dc6ce1- Reference checked
- 2026-09-19
Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.
Related research
Compute harmonic and quasi-harmonic phonon properties from crystal structures and forces.
Claims & evidence
Continue the conversation
Research questions and code contributions belong with the original project. Catalog corrections can be proposed separately.