mp-19037/K2W2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13669.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18041.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13669.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213297.png

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

Summary

../../_images/fig_times22951.png

(a) Computation time