mp-1190561/KTbW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr16000.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20412.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15999.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215595.png

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

Summary

../../_images/fig_times26342.png

(a) Computation time