mp-530262/Li15Cr2N9/harm

Harmonic properties

../../_images/fig_bandos_pr9627.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13454.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9627.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29388.png

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

Summary

../../_images/fig_times16742.png

(a) Computation time