mp-18568-2/Na2Ge2S5/harm

Equation of state

../../_images/fig_bm6771.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17911.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13550.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213178.png

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

Summary

../../_images/fig_times22792.png

(a) Computation time