mp-1103604/La2NCl3/harm

Harmonic properties

../../_images/fig_bandos_pr16586.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20961.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16585.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216160.png

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

Summary

../../_images/fig_times27133.png

(a) Computation time