mp-19896/Li2GePbS4/harm

Harmonic properties

../../_images/fig_bandos_pr13404.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17771.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13404.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213042.png

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

Summary

../../_images/fig_times22577.png

(a) Computation time