mp-561144/K3CaV5O15/harm

Harmonic properties

../../_images/fig_bandos_pr7328.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10309.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7328.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27092.png

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

Summary

../../_images/fig_times12994.png

(a) Computation time