mp-27820/B7H10/harm

Equation of state

../../_images/fig_bm5818.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11912.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15958.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11912.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211623.png

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

Summary

../../_images/fig_times20214.png

(a) Computation time