mp-621930-2/Cs2SrN12/harm

Equation of state

../../_images/fig_bm3201.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6072.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8936.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6072.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25863.png

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

Summary

../../_images/fig_times11110.png

(a) Computation time