mp-736446/InH8C8N4Cl7/harm

Equation of state

../../_images/fig_bm2034.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4108.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5543.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4108.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23921.png

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

Summary

../../_images/fig_times7160.png

(a) Computation time