mp-686102/Tl3In2Se5/harm

Harmonic properties

../../_images/fig_bandos_pr5026.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7061.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5026.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24831.png

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

Summary

../../_images/fig_times8954.png

(a) Computation time