mp-18962-2/Sr2CaMoO6/harm

Harmonic properties

../../_images/fig_bandos_pr13651.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18020.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13651.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213279.png

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

Summary

../../_images/fig_times22926.png

(a) Computation time