mp-510032-2/Ge3Os2/harm

Equation of state

../../_images/fig_bm4794.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9595.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13412.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29356.png

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

Summary

../../_images/fig_times16688.png

(a) Computation time