mp-762307/Y7HoO12/harm

Harmonic properties

../../_images/fig_bandos_pr2971.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3744.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2971.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22791.png

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

Summary

../../_images/fig_times5038.png

(a) Computation time