mp-1111022/Na2InGaF6/harm

Harmonic properties

../../_images/fig_bandos_pr16325.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20759.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16324.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215915.png

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

Summary

../../_images/fig_times26825.png

(a) Computation time