mp-1105136/YTlP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr16630.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20995.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16629.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216202.png

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

Summary

../../_images/fig_times27190.png

(a) Computation time