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In castep the 'break' keyword can be used to specify a jump from one point in k space to another when providing a band structure path. This causes an error in the sumo special k point label finder as the line structure cannot be separated into a tuple of k space coordinates. A simple workaround would be to check if a line in the k point path contains 'break' and ignore such lines.
The text was updated successfully, but these errors were encountered:
In castep the 'break' keyword can be used to specify a jump from one point in k space to another when providing a band structure path. This causes an error in the sumo special k point label finder as the line structure cannot be separated into a tuple of k space coordinates. A simple workaround would be to check if a line in the k point path contains 'break' and ignore such lines.
The text was updated successfully, but these errors were encountered: