mp-733729-2/RbInPHO5/harm

Harmonic properties

../../_images/fig_bandos_pr4076.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5470.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4076.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23889.png

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

Summary

../../_images/fig_times7084.png

(a) Computation time