mp-1190160/K2Se2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15959.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20370.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15958.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215554.png

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

Summary

../../_images/fig_times26283.png

(a) Computation time