mp-570021/Ti6Tl5AgSe27/harm

Harmonic properties

../../_images/fig_bandos_pr7084.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10061.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7084.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26858.png

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

Summary

../../_images/fig_times12639.png

(a) Computation time