mp-7910/Al2HgTe4/harm

Harmonic properties

../../_images/fig_bandos_pr4370.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6137.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4370.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24183.png

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

Summary

../../_images/fig_times7792.png

(a) Computation time