mp-8714-2/Rb2MnS2/harm

Equation of state

../../_images/fig_bm772.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1895.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1912.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1895.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21718.png

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

Summary

../../_images/fig_times2886.png

(a) Computation time