mp-17335/ErAgW2O8/harm

Harmonic properties

../../_images/fig_bandos_pr14252.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18649.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14252.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213880.png

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

Summary

../../_images/fig_times23810.png

(a) Computation time