mp-29407-2/AlTeI7/harm

Equation of state

../../_images/fig_bm5469.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11187.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15154.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11187.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210903.png

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

Summary

../../_images/fig_times19116.png

(a) Computation time