mp-18100/Na6Ge2Se7/harm

Harmonic properties

../../_images/fig_bandos_pr13770.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18153.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13770.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213398.png

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

Summary

../../_images/fig_times23094.png

(a) Computation time