mp-28768/Na4SnSe4/harm

Harmonic properties

../../_images/fig_bandos_pr11628.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15625.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11628.png

(c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all4840.png

(a) Grüneisen parameters

../../_images/fig_gruneisen4840.png

(b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc211340.png

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

Summary

../../_images/fig_times19778.png

(a) Computation time