mp-27228-2/Tl6Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr12297.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16499.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12297.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211996.png

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

Summary

../../_images/fig_times20868.png

(a) Computation time