mp-9815/TaTlCu2S4/harm

Harmonic properties

../../_images/fig_bandos_pr1251.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1163.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1251.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21117.png

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

Summary

../../_images/fig_times1872.png

(a) Computation time