mp-825375/V2Pb14Cl4O17/harm

Harmonic properties

../../_images/fig_bandos_pr1686.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1624.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1686.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21519.png

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

Summary

../../_images/fig_times2526.png

(a) Computation time