mp-1190901/VZn2IO7/harm

Harmonic properties

../../_images/fig_bandos_pr16029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215624.png

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

Summary

../../_images/fig_times26384.png

(a) Computation time