mp-707491/Re6H12Pb3C2S2N4O26/harm

Harmonic properties

../../_images/fig_bandos_pr4260.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5922.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4260.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24073.png

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

Summary

../../_images/fig_times7556.png

(a) Computation time