mp-7394/BaAg2GeS4/harm

Harmonic properties

../../_images/fig_bandos_pr4527.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6354.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4527.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24339.png

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

Summary

../../_images/fig_times8072.png

(a) Computation time