mp-676956/Zn8B4H3O15F/harm

Harmonic properties

../../_images/fig_bandos_pr5080.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7191.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24885.png

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

Summary

../../_images/fig_times9093.png

(a) Computation time