mp-23888/MgTeH12O9/harm

Harmonic properties

../../_images/fig_bandos_pr12540.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16872.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12540.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212238.png

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

Summary

../../_images/fig_times21313.png

(a) Computation time