mp-6509/Sr3GaO4F/harm

Harmonic properties

../../_images/fig_bandos_pr6452.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9299.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6452.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26242.png

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

Summary

../../_images/fig_times11608.png

(a) Computation time