mp-1025397/GeRu/harm

Harmonic properties

../../_images/fig_bandos_pr17163.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21545.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17162.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216705.png

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

Summary

../../_images/fig_times27992.png

(a) Computation time