TiO2.cif - relaxed - phonon dispersion · Files on Ouro
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import osfrom ouro import Ouro# Set OURO_API_KEY in your environment or replace os.environ.get("OURO_API_KEY")ouro = Ouro(api_key=os.environ.get("OURO_API_KEY"))file_id = "2ee082d4-a3ba-45ea-a49b-4a9dc23a964e"# Retrieve file metadata and signed URLf = ouro.files.retrieve(file_id)print(f.name, f.visibility)data = f.read_data() # fetches signed URLprint(data.url)
TiO2.cif - relaxed - phonon dispersion
1054 x 818
184.56 KB
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Phonon band structure (supercell [2, 2, 2], Δ=0.01 Å); imaginary modes detected; min freq = -4.58 THz