mp-687090/HfMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr5037.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7098.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5037.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24842.png

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

Summary

../../_images/fig_times8992.png

(a) Computation time