mp-560668/K2Zn3P4O14/harm

Harmonic properties

../../_images/fig_bandos_pr7548.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10612.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7548.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27312.png

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

Summary

../../_images/fig_times13359.png

(a) Computation time