mp-1105189/Cu2AgPS4/harm

Harmonic properties

../../_images/fig_bandos_pr16635.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21000.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16634.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216207.png

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

Summary

../../_images/fig_times27196.png

(a) Computation time