mp-24165/Li2H2SeO5/harm

Equation of state

../../_images/fig_bm6103.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12356.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16575.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12356.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212055.png

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

Summary

../../_images/fig_times20963.png

(a) Computation time