mp-997020-2/CuClO2/harm

Equation of state

../../_images/fig_bm339.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos869.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo928.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2819.png

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

Summary

../../_images/fig_times1389.png

(a) Computation time