mp-27594/As4Pb9S15/harm

Harmonic properties

../../_images/fig_bandos_pr12155.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16264.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12155.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211856.png

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

Summary

../../_images/fig_times20597.png

(a) Computation time