mp-699151/Sr6Mg7H26/harm

Equation of state

../../_images/fig_bm2357.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4748.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6604.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4748.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24559.png

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

Summary

../../_images/fig_times8420.png

(a) Computation time