mp-8703-2/Na3SbSe4/harm

Equation of state

../../_images/fig_bm768.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1887.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1906.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1887.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21710.png

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

Summary

../../_images/fig_times2878.png

(a) Computation time