mp-556430/TeS2N2Cl2/harm

Harmonic properties

../../_images/fig_bandos_pr8529.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11985.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8529.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28290.png

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

Summary

../../_images/fig_times14966.png

(a) Computation time