mp-1020108/LiCaMgSiN3/harm

Harmonic properties

../../_images/fig_bandos_pr78.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos89.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo78.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc277.png

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

Summary

../../_images/fig_times136.png

(a) Computation time