mp-573974/Tl10Hg3Cl16/harm

Harmonic properties

../../_images/fig_bandos_pr6726.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9668.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6726.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26515.png

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

Summary

../../_images/fig_times12080.png

(a) Computation time