mp-15492-2/DyTa7O19/harm

Equation of state

../../_images/fig_bm7323.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19022.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214260.png

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

Summary

../../_images/fig_times24355.png

(a) Computation time