mp-6276/K2Cd2S3O12/harm

Harmonic properties

../../_images/fig_bandos_pr6355.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9206.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6355.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26145.png

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

Summary

../../_images/fig_times11479.png

(a) Computation time