mp-826026/WO3/harm

Harmonic properties

../../_images/fig_bandos_pr1689.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1631.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1689.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21522.png

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

Summary

../../_images/fig_times2533.png

(a) Computation time