mp-607824-2/HfMo2O8/harm

Equation of state

../../_images/fig_bm3122.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5976.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8786.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5976.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25771.png

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

Summary

../../_images/fig_times10934.png

(a) Computation time