mp-24574/NdH5Se2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12445.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16737.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12445.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212144.png

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

Summary

../../_images/fig_times21147.png

(a) Computation time