mp-137/Ge/harm

Equation of state

../../_images/fig_bm74.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr317.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos318.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo317.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2263.png

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

Summary

../../_images/fig_times519.png

(a) Computation time