mp-1042314/CaMo2O7/harm

Harmonic properties

../../_images/fig_bandos_pr17220.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21684.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17219.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216761.png

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

Summary

../../_images/fig_times28157.png

(a) Computation time