mp-16596/K3HoSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14454.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo14454.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc214074.png

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

Summary

../../_images/fig_times24067.png

(a) Computation time