mp-738609/LiH20C8BrO4/harm

Harmonic properties

../../_images/fig_bandos_pr4110.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5549.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4110.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23923.png

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

Summary

../../_images/fig_times7166.png

(a) Computation time