mp-7906/Al2HgS4/harm

Harmonic properties

../../_images/fig_bandos_pr4362.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6129.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4362.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24175.png

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

Summary

../../_images/fig_times7784.png

(a) Computation time