mp-626225/CaH16O10/harm

Harmonic properties

../../_images/fig_bandos_pr5755.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8310.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5755.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25551.png

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

Summary

../../_images/fig_times10425.png

(a) Computation time