mp-1103475/TeO2/harm

Harmonic properties

../../_images/fig_bandos_pr16580.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20957.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216155.png

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

Summary

../../_images/fig_times27126.png

(a) Computation time