mp-23785-2/LiMnH6O7/harm

Harmonic properties

../../_images/fig_bandos_pr12498.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16816.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12498.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212197.png

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

Summary

../../_images/fig_times21243.png

(a) Computation time