[Materials Square] How to obtain IR/Raman Spectrum of Crystal Structures with Quantum Espresso
Автор: Materials Square
Загружено: 2023-06-19
Просмотров: 3239
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The Quantum Espresso IR/Raman module, which calculates the vibration spectrum based on the lattice vibrations of a crystal, is now available on Materials Square (MatSQ). These lattice vibrations, or phonons, arise from periodic atomic motion due to interatomic forces.
In this video we will learn how to obtain the vibrational spectrum of a crystal structure using Quantum Espresso IR/Raman module in MatSQ.
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