mp-12245-2/Rb3TiF7/harm

Harmonic properties

../../_images/fig_bandos_pr15583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19996.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15582.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215178.png

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

Summary

../../_images/fig_times25747.png

(a) Computation time