mp-625657-2/TeHO3/harm

Equation of state

../../_images/fig_bm3057.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5921.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8661.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5921.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25717.png

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

Summary

../../_images/fig_times10799.png

(a) Computation time