mp-560638/Na2U2SiO8F2/harm

Harmonic properties

../../_images/fig_bandos_pr7539.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10603.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7539.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27303.png

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

Summary

../../_images/fig_times13347.png

(a) Computation time