mp-675750/CaGa6Te10/harm

Equation of state

../../_images/fig_bm2571.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5258.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7509.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5258.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25063.png

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

Summary

../../_images/fig_times9458.png

(a) Computation time