mp-15016/Nd4Si2Se3O7/harm

Harmonic properties

../../_images/fig_bandos_pr14579.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18957.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14579.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214198.png

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

Summary

../../_images/fig_times24271.png

(a) Computation time