mp-1227642/BaSrCaMoO6/harm

Harmonic properties

../../_images/fig_bandos_pr15128.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19504.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15127.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214743.png

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

Summary

../../_images/fig_times25038.png

(a) Computation time