mp-675531-2/NaBiS2/harm

Harmonic properties

../../_images/fig_bandos_pr5238.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7481.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5238.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25043.png

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

Summary

../../_images/fig_times9423.png

(a) Computation time