mp-28011-2/Tl2Sn2S3/harm

Harmonic properties

../../_images/fig_bandos_pr12001.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16058.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12001.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211704.png

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

Summary

../../_images/fig_times20345.png

(a) Computation time