Materials modelling using density functional theory :properties and predictions

199 citations recorded by the source corpus.

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

The physical significance of imaginary phonon modes in crystals (2022, unknown): “the atoms in their equilibrium positions [11, 12].”
Electron–phonon physics from first principles using the EPW code (2023, background): “n(ω) can be calculated from the standard relations between the dielectric function and the refractive index [161].”