mp-709186/K4LiH3S4O16/harm

Harmonic properties

../../_images/fig_bandos_pr4288.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5994.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4288.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24101.png

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

Summary

../../_images/fig_times7631.png

(a) Computation time