mp-18829/Sr2ZnMoO6/harm

Equation of state

../../_images/fig_bm6800.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13618.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17978.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13618.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213246.png

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

Summary

../../_images/fig_times22877.png

(a) Computation time