mp-18353/Cs2Mo3SeO12/harm

Harmonic properties

../../_images/fig_bandos_pr13851.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13851.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213479.png

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

Summary

../../_images/fig_times23226.png

(a) Computation time