87 citations · 150 across the 6 of their papers we have counts for
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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…
cond-mat.mtrl-sci2023★ 87 cited
How to verify the precision of density-functional-theory implementations via reproducible and universal workflows
Emanuele Bosoni, Louis Beal, Marnik Bercx +42
In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter phys…