mp-15701/MgSiN2/harm

Harmonic properties

../../_images/fig_bandos_pr14310.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18709.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14310.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213938.png

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

Summary

../../_images/fig_times23894.png

(a) Computation time