mp-6015/LiSiNO/harm

Harmonic properties

../../_images/fig_bandos_pr6584.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6584.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26374.png

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

Summary

../../_images/fig_times11830.png

(a) Computation time