mp-7906-2/Al2HgS4/harm

Equation of state

../../_images/fig_bm2188.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4363.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6130.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4363.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24176.png

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

Summary

../../_images/fig_times7785.png

(a) Computation time