mp-557650/Sr3P6N8O6/harm

Harmonic properties

../../_images/fig_bandos_pr8148.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11456.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8148.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27910.png

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

Summary

../../_images/fig_times14344.png

(a) Computation time