mp-18962/Sr2CaMoO6/harm

Equation of state

../../_images/fig_bm6817.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13650.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18019.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13650.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213278.png

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

Summary

../../_images/fig_times22925.png

(a) Computation time