mp-1095622/ZrMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr16707.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21049.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16706.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216276.png

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

Summary

../../_images/fig_times27287.png

(a) Computation time