mp-6356-2/Cd2GaAgS4/harm

Equation of state

../../_images/fig_bm3376.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6384.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9232.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6384.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26174.png

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

Summary

../../_images/fig_times11514.png

(a) Computation time