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Add phonon-phonon interaction related properties calculation to matcalc
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Signed-off-by: Runze Liu <[email protected]>
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rul048 authored Sep 7, 2024
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Expand Up @@ -2,6 +2,7 @@ pymatgen==2024.2.20
ase==3.23.0
joblib==1.3.1
phonopy==2.20.0
phono3py==3.3.4
scikit-learn>=1.3.0
seekpath==2.1.0
numpy==1.26.4

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