mp-17964/Na2Ge2Se5/harm

Harmonic properties

../../_images/fig_bandos_pr14090.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14090.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213718.png

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

Summary

../../_images/fig_times23568.png

(a) Computation time