mp-677703-2/Nd4Si4N7ClO3/harm

Harmonic properties

../../_images/fig_bandos_pr5123.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7277.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5123.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24928.png

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

Summary

../../_images/fig_times9186.png

(a) Computation time