mp-863731/InH4NCl4/harm

Harmonic properties

../../_images/fig_bandos_pr1529.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1440.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1529.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21376.png

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

Summary

../../_images/fig_times2286.png

(a) Computation time