mp-18068-2/Ag2TeO3/harm

Equation of state

../../_images/fig_bm6877.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13763.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18147.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13763.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213391.png

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

Summary

../../_images/fig_times23085.png

(a) Computation time