mp-557719/PbS/harm

Harmonic properties

../../_images/fig_bandos_pr8169.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11486.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8169.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27931.png

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

Summary

../../_images/fig_times14376.png

(a) Computation time