mp-1189598/Y3GaS6/harm

Harmonic properties

../../_images/fig_bandos_pr15928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20340.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15927.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215523.png

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

Summary

../../_images/fig_times26236.png

(a) Computation time