mp-625657/TeHO3/harm

Harmonic properties

../../_images/fig_bandos_pr5920.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8660.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5920.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25716.png

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

Summary

../../_images/fig_times10798.png

(a) Computation time