mp-1079971/Sr2ZnMoO6/harm

Harmonic properties

../../_images/fig_bandos_pr16964.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21271.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16963.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216516.png

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

Summary

../../_images/fig_times27651.png

(a) Computation time