mp-698262/VH16C4N3O12/harm

Harmonic properties

../../_images/fig_bandos_pr4718.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6559.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4718.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24529.png

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

Summary

../../_images/fig_times8374.png

(a) Computation time