mp-20261-2/MnGa2Se4/harm

Equation of state

../../_images/fig_bm6719.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13449.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17817.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13449.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213085.png

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

Summary

../../_images/fig_times22644.png

(a) Computation time