mp-1216619/TlIn2GaSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19590.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15211.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214824.png

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

Summary

../../_images/fig_times25174.png

(a) Computation time