mp-1095467-2/Tm2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr16689.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21041.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16688.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216258.png

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

Summary

../../_images/fig_times27268.png

(a) Computation time