mp-18104/Na2Si2S5/harm

Harmonic properties

../../_images/fig_bandos_pr13773.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18154.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13773.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213401.png

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

Summary

../../_images/fig_times23097.png

(a) Computation time