mp-6249/Sr3Nd2B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr6333.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9190.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6333.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26123.png

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

Summary

../../_images/fig_times11457.png

(a) Computation time