mp-18562/Na2Si2Se5/harm

Harmonic properties

../../_images/fig_bandos_pr13917.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18313.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13917.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213545.png

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

Summary

../../_images/fig_times23320.png

(a) Computation time