mp-29688/Ge3Cl8/harm

Harmonic properties

../../_images/fig_bandos_pr11278.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15249.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11278.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210994.png

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

Summary

../../_images/fig_times19256.png

(a) Computation time