mp-733538/TeOs3C9O9/harm

Harmonic properties

../../_images/fig_bandos_pr4068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5451.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4068.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23881.png

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

Summary

../../_images/fig_times7065.png

(a) Computation time