mp-24461/H12OsN5Cl3O/harm

Harmonic properties

../../_images/fig_bandos_pr12422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16701.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12422.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212121.png

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

Summary

../../_images/fig_times21107.png

(a) Computation time