mp-571478/SnHg7As4I6/harm

Harmonic properties

../../_images/fig_bandos_pr6669.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9565.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6669.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26459.png

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

Summary

../../_images/fig_times11947.png

(a) Computation time