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Use for phonon band structure/DOS, Gruneisen, and IR spectra analysis with pymatgen.phonon and phonopy-compatible outputs.
Codex 또는 Claude로 설치 이 Prompt를 복사해 Codex, Claude 또는 다른 어시스턴트에 붙여 넣으면 Skill 페이지를 검토하고 설치를 진행할 수 있습니다.
SOC 직업 분류 기준
| name | pymatgen-phonon |
| description | Use for phonon band structure/DOS, Gruneisen, and IR spectra analysis with pymatgen.phonon and phonopy-compatible outputs. |
| metadata | {"short-description":"pymatgen phonon"} |
Pymatgen phonon tools analyze phonon band structures, DOS, Gruneisen parameters, and IR spectra, often from Phonopy outputs.
Ensure pymatgen and phonopy are installed in your Python environment:
pip install pymatgen phonopy
# or
conda install -c conda-forge pymatgen phonopy
Example usage pattern:
from pymatgen.phonon.bandstructure import PhononBandStructure
# your code here
Executable examples in the scripts/ directory:
2016-09-25-Plotting_phonon_bandstructure_and_dos.py - Phonon band structure and DOS plotting.Detailed reference material (load as needed):
references/phonon-workflows.md - Phonon workflows and examplesreferences/docs/ - Local API docs for pymatgen.phononStructured brainstorming and ideation facilitation using proven creativity techniques. Use when users want to generate ideas, explore solutions, break through creative blocks, or need facilitated ideation sessions. Triggers include requests like 'help me brainstorm,' 'generate ideas for,' 'creative solutions to,' or 'think of alternatives.'
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