mp-554390/SrAl2SiN2O3/harm

Harmonic properties

../../_images/fig_bandos_pr8986.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12672.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8986.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28747.png

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

Summary

../../_images/fig_times15744.png

(a) Computation time