mp-570577-2/SrAlSi4N7/harm

Equation of state

../../_images/fig_bm3653.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6832.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9793.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6832.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26617.png

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

Summary

../../_images/fig_times12254.png

(a) Computation time