mp-1190311/NaH2S2O4/harm

Harmonic properties

../../_images/fig_bandos_pr15971.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20377.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15970.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215566.png

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

Summary

../../_images/fig_times26297.png

(a) Computation time