mp-17964-2/Na2Ge2Se5/harm

Equation of state

../../_images/fig_bm7059.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14091.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18479.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14091.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213719.png

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

Summary

../../_images/fig_times23569.png

(a) Computation time