mp-20731-2/In2HgSe4/harm

Equation of state

../../_images/fig_bm6742.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13496.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17859.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13496.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213131.png

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

Summary

../../_images/fig_times22710.png

(a) Computation time