mp-11051-2/NaSn/harm

Harmonic properties

../../_images/fig_bandos_pr16761.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21103.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16760.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216319.png

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

Summary

../../_images/fig_times27378.png

(a) Computation time