mp-616610-2/InCuMo2O8/harm

Equation of state

../../_images/fig_bm3177.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6041.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8890.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6041.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25832.png

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

Summary

../../_images/fig_times11060.png

(a) Computation time