mp-625632/H9BrO4/harm

Harmonic properties

../../_images/fig_bandos_pr5917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8653.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25713.png

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

Summary

../../_images/fig_times10791.png

(a) Computation time