mp-7853-2/NaTl3S2O6/harm

Equation of state

../../_images/fig_bm2180.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4345.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6116.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4345.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24158.png

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

Summary

../../_images/fig_times7764.png

(a) Computation time