mp-601377/BaTe2Mo2H2O12/harm

Harmonic properties

../../_images/fig_bandos_pr6249.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9106.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6249.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26039.png

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

Summary

../../_images/fig_times11347.png

(a) Computation time