mp-559837/Bi2Te2WO10/harm

Harmonic properties

../../_images/fig_bandos_pr7688.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10796.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7688.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27451.png

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

Summary

../../_images/fig_times13580.png

(a) Computation time