mp-1104024-2/Cs2GeSe4/harm

Harmonic properties

../../_images/fig_bandos_pr16599.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20969.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16598.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216172.png

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

Summary

../../_images/fig_times27149.png

(a) Computation time