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regarding the common neighbor analysis

The following file looks like FCC crystal. However, OVITO does not recognize any FCC atoms. May i know what could be going wrong


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Your XYZ file seems to contain more atoms than expected. I visually count 8x8x3 FCC unit cells (4 atoms each). This should give a total of 768 atoms. However, the file actually contains 3840 atoms. Furthermore, the radial pair distribution function calculated for this file using OVITO's Coordination Analysis modifier indicates a sharp peak at r=0, which is suspicious.

Note that structure identification algorithms like CNA will not identify a structure as FCC if each lattice site is occupied by multiple atoms.