mp-504951-2/InGaS3/harm

Equation of state

../../_images/fig_bm4904.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9835.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13738.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9835.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29590.png

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

Summary

../../_images/fig_times17098.png

(a) Computation time