mp-22304/CdIn2Se4/harm

Harmonic properties

../../_images/fig_bandos_pr13048.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17422.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13048.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212728.png

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

Summary

../../_images/fig_times22041.png

(a) Computation time