mp-675458-2/La2Te4Pb/harm

Harmonic properties

../../_images/fig_bandos_pr5232.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7469.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5232.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25037.png

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

Summary

../../_images/fig_times9411.png

(a) Computation time