mp-680760/In4Br7/harm

Equation of state

../../_images/fig_bm2541.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5181.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7378.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5181.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24986.png

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

Summary

../../_images/fig_times9306.png

(a) Computation time