mp-1173060/AgBiS2/harm

Harmonic properties

../../_images/fig_bandos_pr16096.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20519.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16095.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215691.png

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

Summary

../../_images/fig_times26472.png

(a) Computation time