mp-684745/CsTiNbO4F2/harm

Harmonic properties

../../_images/fig_bandos_pr4992.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7000.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4992.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24797.png

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

Summary

../../_images/fig_times8880.png

(a) Computation time