mp-18568/Na2Ge2S5/harm

Harmonic properties

../../_images/fig_bandos_pr13549.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17910.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13549.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213177.png

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

Summary

../../_images/fig_times22791.png

(a) Computation time