mp-28569/NaInBr4/harm

Harmonic properties

../../_images/fig_bandos_pr11541.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15549.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11541.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211255.png

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

Summary

../../_images/fig_times19661.png

(a) Computation time