mp-555206/KLiCrO4/harm

Harmonic properties

../../_images/fig_bandos_pr8878.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12509.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8878.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28639.png

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

Summary

../../_images/fig_times15563.png

(a) Computation time