mp-7008/GaAgP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr4770.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6643.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4770.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24581.png

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

Summary

../../_images/fig_times8461.png

(a) Computation time