mp-20731/In2HgSe4/harm

Harmonic properties

../../_images/fig_bandos_pr13495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17858.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213130.png

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

Summary

../../_images/fig_times22709.png

(a) Computation time