mp-557480/Te2SO7/harm

Harmonic properties

../../_images/fig_bandos_pr8451.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11863.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8451.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28213.png

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

Summary

../../_images/fig_times14824.png

(a) Computation time