mp-14780/Na6MnSe4/harm

Equation of state

../../_images/fig_bm7266.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14527.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18884.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14527.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214146.png

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

Summary

../../_images/fig_times24184.png

(a) Computation time