mp-768257/Na4Bi2C4SO16/harm

Harmonic properties

../../_images/fig_bandos_pr2820.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3503.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2820.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22641.png

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

Summary

../../_images/fig_times4753.png

(a) Computation time