mp-977569/NaH6CN2ClO2/harm

Harmonic properties

../../_images/fig_bandos_pr1056.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos985.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1056.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2924.png

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

Summary

../../_images/fig_times1578.png

(a) Computation time