mp-642792/BaBi2Mo4O16/harm

Harmonic properties

../../_images/fig_bandos_pr5441.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7846.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5441.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25246.png

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

Summary

../../_images/fig_times9856.png

(a) Computation time