mp-625801/SrH16O10/harm

Harmonic properties

../../_images/fig_bandos_pr5936.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8689.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5936.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25732.png

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

Summary

../../_images/fig_times10829.png

(a) Computation time