mp-557543/K3LuSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8129.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11426.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8129.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27891.png

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

Summary

../../_images/fig_times14313.png

(a) Computation time