mp-24165-2/Li2H2SeO5/harm

Harmonic properties

../../_images/fig_bandos_pr12357.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16576.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12357.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212056.png

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

Summary

../../_images/fig_times20964.png

(a) Computation time