mp-667/Tl2S/harm

Harmonic properties

../../_images/fig_bandos_pr426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos396.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2353.png

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

Summary

../../_images/fig_times662.png

(a) Computation time