mp-1105213/ErTlP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr16641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21004.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16640.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216213.png

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

Summary

../../_images/fig_times27202.png

(a) Computation time