mp-29722-2/Ca11InSb9/harm

Equation of state

../../_images/fig_bm5516.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11292.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15275.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11292.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211008.png

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

Summary

../../_images/fig_times19284.png

(a) Computation time