Tutorial

This is the turorial for the GOFEE structure search.

• Cu3Au2 with EMT - First search
• Cu15 with EMT - Detailed
• Au7 on Cu(111) with EMT
• Modifying surrogate model
• Searching for TiO clusters
• Searching for the TiO2(001)-(1x4) reconstruction

Different types of searches/modifications covered in these tutorials include:

• Isolated clusters (see here)

• Constraining the positions of the free atoms during the search (see here)

• Surface reconstruction (see here)

• Modifying the surrogate model (see here)