mp-1191872/La3AlZnS7/harm

Harmonic properties

../../_images/fig_bandos_pr15754.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20115.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15753.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215349.png

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

Summary

../../_images/fig_times25946.png

(a) Computation time