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phonons_tutorial
phonons_tutorial PublicAb-initio phonons tutorial for TDEP 2023 at Linkoping
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2022_BaZrS3_High-T_equilibrium
2022_BaZrS3_High-T_equilibrium PublicSupplementary information for vibrational and thermodynamic analysis of BaZrS3 and competing phases.
Jupyter Notebook 2
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BaZrS3-thermodynamic-model
BaZrS3-thermodynamic-model PublicForked from WMD-group/CZTS-model
Thermodynamic modelling of BaZrS3 phase equilibria
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- 2023_BaZrS3_Thermodynamic_Model Public
Supplementary information for "A first-principles model for the Ba-Zr-S system in equilibrium with sulfur vapour".
- singing-materials Public
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- MACsPbI3_defects Public
Data and code release for "Steric Engineering of Point Defects in Lead Halide Perovskites"
- singing-materials-online Public
- Computational_Physics Public
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