mp-6115/K2Zn2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr6641.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6641.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26431.png

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

Summary

../../_images/fig_times11906.png

(a) Computation time