mp-752514-2/BaSrI4/harm

Harmonic properties

../../_images/fig_bandos_pr3907.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5187.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3907.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23720.png

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

Summary

../../_images/fig_times6764.png

(a) Computation time