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We present a first principles implementation of the dynamic transversemagnetic susceptibility in the framework of linear response time-dependentdensity functional theory. The dynamic susceptibility allows one to obtain themagnon dispersion as well as magnon lifetimes for a particular material, whichstrongly facilitates the interpretation of inelastic neutron scatteringexperiments as well as other spectroscopic techniques. We apply the method toFe, Ni, and Co and perform a thorough convergence analysis with respect thebasis set size, $k$-point sampling, spectral smearing and unoccupied bands. Inparticular, it is shown that while the gap error (acoustic magnon energy at$\mathbf{q}=\mathbf{0}$) is highly challenging to converge, the spin-wavestiffness and the dispersion relation itself are much less sensitive toconvergence parameters. Our final results agrees well with experimentallyextracted magnon dispersion relations except for Ni, where it is well-knownthat the exchange splitting energy is poorly represented in the local densityapproximation. We also find good agreement with previous first principlescalculations and explain how differences in the calculated dispersion relationscan arise from subtle differences in computational approaches.

Dynamic transverse magnetic susceptibility in the projector augmented-wave method. Application to Fe, Ni, and Co