mp-30934/AsS24I3/harm

Harmonic properties

../../_images/fig_bandos_pr11125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15079.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210842.png

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

Summary

../../_images/fig_times19017.png

(a) Computation time