mp-768317/Dy2SiO5/harm

Harmonic properties

../../_images/fig_bandos_pr2834.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3515.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2834.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22655.png

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

Summary

../../_images/fig_times4773.png

(a) Computation time