https://github.com/fernandezfran/dftb_lisi_amorphous

Structures obtained in the PRB article "NMR, x-ray and Mössbauer results for amorphous Li-Si alloys using density functional tight-binding method"

amorphous-materials atomic-structures lithium-ion-batteries molecular-dynamics mossbauer nearest-neighbors nmr x-ray

Last synced: 16 Jan 2026