mp-720817/MgAsH15O11/harm

Harmonic properties

../../_images/fig_bandos_pr4312.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6062.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4312.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24125.png

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

Summary

../../_images/fig_times7700.png

(a) Computation time