3.2 Output files

There usually is a result folder $\sim $/StructurePrediction/results1 for storing the results of a USPEX calculation. If this is a new calculation, results2, results3, …(if the calculation has been restarted or run a few times), there will be a separate results* folder for each calculation. When looking at space groups in the file Individuals, keep in mind that USPEX often underdetermines space group symmetries, because of finite precision of structure relaxation and relatively tight space group determination tolerances. You should visualize the predicted structures. To get full space group, either increase symmetry tolerances (but this can be dangerous), or re-relax your structure with increased precision.

The subdirectory $\sim $/StructurePrediction/results1 contains the following files: