mp-558164/CaHf4O9/harm

Harmonic properties

../../_images/fig_bandos_pr8285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11653.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8285.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28047.png

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

Summary

../../_images/fig_times14563.png

(a) Computation time