mp-1042098/TiS2/harm

Harmonic properties

../../_images/fig_bandos_pr17210.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21667.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17209.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216751.png

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

Summary

../../_images/fig_times28140.png

(a) Computation time