mp-13748/Cs3SiF7/harm

Harmonic properties

../../_images/fig_bandos_pr14943.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19311.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14943.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214560.png

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

Summary

../../_images/fig_times24770.png

(a) Computation time