mp-574684-2/Na2SnAs2/harm

Equation of state

../../_images/fig_bm3609.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6743.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9689.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6743.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26532.png

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

Summary

../../_images/fig_times12107.png

(a) Computation time