mp-626219/H5ClO6/harm

Harmonic properties

../../_images/fig_bandos_pr5753.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8306.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5753.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25549.png

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

Summary

../../_images/fig_times10421.png

(a) Computation time