mp-13627-2/Y3ReO8/harm

Harmonic properties

../../_images/fig_bandos_pr14913.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19278.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14913.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214530.png

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

Summary

../../_images/fig_times24728.png

(a) Computation time