mp-19039/CdMoO4/harm

Equation of state

../../_images/fig_bm6828.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13670.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18043.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13670.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213298.png

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

Summary

../../_images/fig_times22953.png

(a) Computation time