mp-676851-2/KNO3/harm

Harmonic properties

../../_images/fig_bandos_pr5076.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7180.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5076.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24881.png

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

Summary

../../_images/fig_times9081.png

(a) Computation time