mp-1224845/GaAgSeS/harm

Harmonic properties

../../_images/fig_bandos_pr15060.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19420.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15059.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214676.png

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

Summary

../../_images/fig_times24927.png

(a) Computation time