mp-733508/SmH5Se2O8/harm

Equation of state

../../_images/fig_bm2008.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4066.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5447.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4066.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23879.png

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

Summary

../../_images/fig_times7061.png

(a) Computation time