mp-682548/Cs5Te3H4NCl18/harm

Harmonic properties

../../_images/fig_bandos_pr5185.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7385.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5185.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24990.png

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

Summary

../../_images/fig_times9313.png

(a) Computation time