mp-675531/NaBiS2/harm

Equation of state

../../_images/fig_bm2561.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5237.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7480.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5237.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25042.png

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

Summary

../../_images/fig_times9422.png

(a) Computation time