most citedPhonons from Density-Functional Perturbation Theory using the All-Electron Full-Potential Linearized Augmented Plane-Wave Method FLEUR

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cond-mat.mtrl-sci2023★ 9 cited

Phonons from Density-Functional Perturbation Theory using the All-Electron Full-Potential Linearized Augmented Plane-Wave Method FLEUR

Christian-Roman Gerhorst, Alexander Neukirchen, Daniel A. Klüppelberg +5

Phonons are quantized vibrations of a crystal lattice that play a crucial role in understanding many properties of solids. Density functional theory (DFT) provides a state-of-the-a…