mp-698358/NiH10C4S2N8/harm

Harmonic properties

../../_images/fig_bandos_pr4729.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6576.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4729.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24540.png

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

Summary

../../_images/fig_times8391.png

(a) Computation time