mp-23843-2/LiHSeO3/harm

Harmonic properties

../../_images/fig_bandos_pr12515.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16846.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12515.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212214.png

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

Summary

../../_images/fig_times21279.png

(a) Computation time