mp-23276-2/InCl/harm

Equation of state

../../_images/fig_bm6479.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12975.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17360.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12975.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212661.png

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

Summary

../../_images/fig_times21945.png

(a) Computation time