mp-559685/V2Cd4Te3O15/harm

Harmonic properties

../../_images/fig_bandos_pr7653.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10747.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7653.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27416.png

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

Summary

../../_images/fig_times13522.png

(a) Computation time