mp-644271/LiHS/harm

Harmonic properties

../../_images/fig_bandos_pr5556.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7956.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5556.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25357.png

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

Summary

../../_images/fig_times10020.png

(a) Computation time