mp-23887/MgH12SO9/harm

Harmonic properties

../../_images/fig_bandos_pr12538.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16870.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12538.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212236.png

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

Summary

../../_images/fig_times21311.png

(a) Computation time