mp-753960/Li2H2SeO5/harm

Harmonic properties

../../_images/fig_bandos_pr3775.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5025.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3775.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23590.png

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

Summary

../../_images/fig_times6540.png

(a) Computation time