mp-1112290/K2AgAsF6/harm

Harmonic properties

../../_images/fig_bandos_pr16403.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20832.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16402.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215990.png

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

Summary

../../_images/fig_times26904.png

(a) Computation time