mp-1190916/Ag2Te3Mo3O16/harm

Harmonic properties

../../_images/fig_bandos_pr16033.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20450.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16032.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215628.png

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

Summary

../../_images/fig_times26389.png

(a) Computation time