mp-560760/Tl4V5CdClO15/harm

Harmonic properties

../../_images/fig_bandos_pr7561.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10635.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7561.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27325.png

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

Summary

../../_images/fig_times13386.png

(a) Computation time