mp-505784/CsAlMo2O8/harm

Harmonic properties

../../_images/fig_bandos_pr9898.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9898.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29652.png

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

Summary

../../_images/fig_times17200.png

(a) Computation time