mp-1190334/LaTl2P2S7/harm

Harmonic properties

../../_images/fig_bandos_pr15975.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20380.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15974.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215570.png

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

Summary

../../_images/fig_times26301.png

(a) Computation time