mp-31416/Ho3TaO7/harm

Harmonic properties

../../_images/fig_bandos_pr10756.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14685.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10756.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210488.png

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

Summary

../../_images/fig_times18450.png

(a) Computation time