mp-570622/NaGa3Se5/harm

Equation of state

../../_images/fig_bm3662.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6844.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9813.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6844.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26628.png

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

Summary

../../_images/fig_times12276.png

(a) Computation time