mp-11051/NaSn/harm

Equation of state

../../_images/fig_bm7761.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr16760.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21102.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16759.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216318.png

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

Summary

../../_images/fig_times27377.png

(a) Computation time