mp-754304/BaYI5/harm

Harmonic properties

../../_images/fig_bandos_pr3838.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5091.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3838.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23652.png

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

Summary

../../_images/fig_times6637.png

(a) Computation time