mp-555217/Dy3Se4O12F/harm

Equation of state

../../_images/fig_bm4484.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8881.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12516.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8881.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28642.png

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

Summary

../../_images/fig_times15570.png

(a) Computation time