mp-1021512/LuO3/harm

Harmonic properties

../../_images/fig_bandos_pr138.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos175.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo138.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2136.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times242.png

(a) Computation time