mp-24336/MgH4Cl2O2/harm

Harmonic properties

../../_images/fig_bandos_pr12388.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16638.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12388.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212087.png

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

Summary

../../_images/fig_times21034.png

(a) Computation time