mp-17822/Dy2MoO6/harm

Equation of state

../../_images/fig_bm7024.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14025.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18410.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14025.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213653.png

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

Summary

../../_images/fig_times23474.png

(a) Computation time