mp-607824/HfMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr5975.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8785.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5975.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25770.png

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

Summary

../../_images/fig_times10933.png

(a) Computation time