mp-559637-2/DyI3O9/harm

Equation of state

../../_images/fig_bm3974.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7643.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10733.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7643.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27406.png

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

Summary

../../_images/fig_times13507.png

(a) Computation time