mp-18619-2/Na2Ge2Se5/harm

Equation of state

../../_images/fig_bm6779.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13570.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17930.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13570.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213198.png

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

Summary

../../_images/fig_times22814.png

(a) Computation time