mp-13599-2/NaSn2F5/harm

Harmonic properties

../../_images/fig_bandos_pr14907.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19270.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14907.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214524.png

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

Summary

../../_images/fig_times24719.png

(a) Computation time