mp-677178/Ta2W2O11/harm

Harmonic properties

../../_images/fig_bandos_pr5102.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7222.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5102.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24907.png

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

Summary

../../_images/fig_times9126.png

(a) Computation time