mp-570577/SrAlSi4N7/harm

Harmonic properties

../../_images/fig_bandos_pr6831.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9792.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6831.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26616.png

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

Summary

../../_images/fig_times12253.png

(a) Computation time