mp-24479-2/SrH2Br2O7/harm

Equation of state

../../_images/fig_bm6160.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12429.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16712.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12429.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212128.png

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

Summary

../../_images/fig_times21118.png

(a) Computation time