mp-676801/K7Th6F31/harm

Harmonic properties

../../_images/fig_bandos_pr5073.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7175.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5073.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24878.png

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

Summary

../../_images/fig_times9076.png

(a) Computation time