Has anyone got an anatase data file?
Hi @Max_T,
Please have a look on the forum guidelines to get insights on the aim of the forum and proper ways of formulating your question in order to get relevant answers.
The best way to find input files and models for molecular dynamics simulations of a material or molecules is to look for then in the relevant scientific literature. There are many simulation articles involving TiO2 materials and data bases to get the related structures (like the materials project sharing this forum). The rest of the work is likely up to you.