mp-568450-2/SrAlH5/harm

Equation of state

../../_images/fig_bm3853.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7286.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7286.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27052.png

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

Summary

../../_images/fig_times12929.png

(a) Computation time