mp-9815-2/TaTlCu2S4/harm

Equation of state

../../_images/fig_bm434.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1252.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1164.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1252.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21118.png

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

Summary

../../_images/fig_times1873.png

(a) Computation time