mp-16000/Cs5Ti6AgSe27/harm

Harmonic properties

../../_images/fig_bandos_pr14370.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo14370.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc213995.png

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

Summary

../../_images/fig_times23963.png

(a) Computation time