mp-995215/CsSrSiHO4/harm

Harmonic properties

../../_images/fig_bandos_pr888.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos799.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo888.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2782.png

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

Summary

../../_images/fig_times1313.png

(a) Computation time