mp-995225/CsBaSiHO4/harm

Harmonic properties

../../_images/fig_bandos_pr895.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos809.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo895.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2789.png

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

Summary

../../_images/fig_times1323.png

(a) Computation time