mp-20025-2/MnGa2S4/harm

Equation of state

../../_images/fig_bm6706.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17794.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13422.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213059.png

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

Summary

../../_images/fig_times22607.png

(a) Computation time