mp-556717/Tl3Ga9S13O2/harm

Harmonic properties

../../_images/fig_bandos_pr8595.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12089.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28356.png

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

Summary

../../_images/fig_times15084.png

(a) Computation time