mp-1226138/Cs2WO2F4/harm

Harmonic properties

../../_images/fig_bandos_pr15086.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15085.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214702.png

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

Summary

../../_images/fig_times24964.png

(a) Computation time