mp-625604-2/H9BrO4/harm

Equation of state

../../_images/fig_bm3049.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5911.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8647.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5911.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25707.png

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

Summary

../../_images/fig_times10785.png

(a) Computation time