GitHub - trollchu/TiO2model: A model to find the bulk properties and structure of TiO2 materials. The thermodynamic and structural properties are characterized via radial distribution functions, bond angle distributions, potential energy and density.
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The model finds the bulk properties and structure of TiO2 materials for given temperature and pressure. The bulk properties and structure are characterized via radial distribution functions, bond angle distributions, potential energy and density. The simulation results performed at ambient conditions using this code are the followings:
A model to find the bulk properties and structure of TiO2 materials. The thermodynamic and structural properties are characterized via radial distribution functions, bond angle distributions, potential energy and density.
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