mp-569600/Ge3As4/harm

Harmonic properties

../../_images/fig_bandos_pr7040.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10018.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7040.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26817.png

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

Summary

../../_images/fig_times12576.png

(a) Computation time