mp-1105141/TbTlP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr16631.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20996.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16630.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216203.png

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

Summary

../../_images/fig_times27191.png

(a) Computation time