mp-18129/La2ZnGa2S6O/harm

Harmonic properties

../../_images/fig_bandos_pr13787.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18167.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13787.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213415.png

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

Summary

../../_images/fig_times23113.png

(a) Computation time