mp-626151-2/YHO2/harm

Harmonic properties

../../_images/fig_bandos_pr5743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8288.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5743.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25539.png

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

Summary

../../_images/fig_times10403.png

(a) Computation time