mp-569901/Ge23Mo13/harm

Harmonic properties

../../_images/fig_bandos_pr7071.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10047.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7071.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26847.png

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

Summary

../../_images/fig_times12619.png

(a) Computation time