mp-29991/Bi2Te4Cl7/harm

Harmonic properties

../../_images/fig_bandos_pr11058.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14982.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210782.png

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

Summary

../../_images/fig_times18883.png

(a) Computation time