mp-570838/CdHg4As2I4/harm

Harmonic properties

../../_images/fig_bandos_pr6865.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9842.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6865.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26648.png

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

Summary

../../_images/fig_times12319.png

(a) Computation time