mp-626241/SrH16O10/harm

Harmonic properties

../../_images/fig_bandos_pr5759.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8318.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5759.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25555.png

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

Summary

../../_images/fig_times10433.png

(a) Computation time