mp-989612/LaCrN3/harm

Harmonic properties

../../_images/fig_bandos_pr854.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos756.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo854.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2749.png

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

Summary

../../_images/fig_times1259.png

(a) Computation time