mp-1105197/Cs2PaF7/harm

Harmonic properties

../../_images/fig_bandos_pr16636.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21001.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16635.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216208.png

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

Summary

../../_images/fig_times27197.png

(a) Computation time