mp-554390-2/SrAl2SiN2O3/harm

Equation of state

../../_images/fig_bm4534.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8987.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12673.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8987.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28748.png

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

Summary

../../_images/fig_times15745.png

(a) Computation time