mp-698317/NdH4C3O8/harm

Harmonic properties

../../_images/fig_bandos_pr4722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6568.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4722.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24533.png

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

Summary

../../_images/fig_times8383.png

(a) Computation time